3-Fluoro-2-nitrobenzoic acid

Formula:C7H4NO4F CAS:1000339-51-4 ChemrytIQ

PropertyValue
Casrn1000339-51-4
MolName3-Fluoro-2-nitrobenzoic acid
MolecularFormulaC7H4NO4F
Smiles[O-][N+](c(c(C(O)=O)ccc1)c1F)=O
InChIInChI=1S/C7H4FNO4/c8-5-3-1-2-4(7(10)11)6(5)9(12)13/h1-3H,(H,10,11)
InChIKDTGONJAUUOWYGB-UHFFFAOYSA-N
CanonicalSyTyLFyfa8b4fdfaee91737
TotalMolweight185.11
Molweight185.11
MonoisotopicMass185.012437
CLogP0.3239
CLogS-2.403
H Acceptors5
H Donors1
TotalSurfaceArea127.38
Relative PSA0.44403
PolarSurfaceArea83.12
Druglikeness-8.2861
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsaromatic nitro
Shape Index0.46154
Molecula Flexibility0.44768
Molecular Complexity0.77245
Fragments1
Non HAtoms13
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond2
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
Sp3Atoms2
AcidicOxygens2
StereoCon
CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness ChemrytIQ
100-16-3lowhighnoneC6H7N3O2153.141-9.8627 ChemrytIQ
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100-22-1highhighnoneC10H16N2164.2510.40939 ChemrytIQ
10000-42-7highhighlowC20H18N4O3362.388-5.7793 ChemrytIQ
100004-54-4nonehighnoneC4H8Te183.708-3.9699 ChemrytIQ
1000018-59-6nonenonelowC10H15O2BrS279.197-14.078 ChemrytIQ
1000018-51-8nonenonenoneC10H10N2O2S2254.3331.3137 ChemrytIQ
100-13-0nonenonelowC8H7NO2149.149-10.212 ChemrytIQ
100-59-4nonenonenoneCl.C6H5Mg101.411-2.3575 ChemrytIQ
100-28-7highlowlowC7H4N2O3164.12-21.552 ChemrytIQ
100004-92-0nonenonenoneC16H11NO2249.268-1.5746 ChemrytIQ
100-19-6nonenonenoneC8H7NO3165.148-7.0365 ChemrytIQ
100-10-7nonehighhighC9H11NO149.192-1.8715 ChemrytIQ
1000339-30-9nonenonenoneC8H10N3Cl183.6412.1 ChemrytIQ
100-64-1highhighnoneC6H11NO113.159-6.4182 ChemrytIQ
1000018-22-3nonenonenoneC16H22N3O4Br400.272-33.051 ChemrytIQ
1000018-06-3nonenonenoneC8H8N3Br226.0770.34749 ChemrytIQ
100009-01-6nonenonenoneC15H13N3O3283.286-2.3895 ChemrytIQ
1000-78-8highlownoneC11H24N2184.326-10.254 ChemrytIQ
100-75-4highhighhighC5H10N2O114.147-0.86877 ChemrytIQ
100031-98-9nonenonehighC12H29O4F3Si4406.696-100.78 ChemrytIQ
100-26-5nonenonenoneC7H5NO4167.12-1.5746 ChemrytIQ
1000-63-1nonenonehighC8H18O130.23-19.78 ChemrytIQ
1000-90-4nonenonenoneZn.C4H7OS2.C4H7OS2135.231-2.7683 ChemrytIQ
100-65-2highnonenoneC6H7NO109.128-1.548 ChemrytIQ
100009-23-2nonenonehighC17H22226.362-9.7346 ChemrytIQ
1000018-40-5lowhighnoneC11H16N2O2S240.3261.4856 ChemrytIQ
10001-46-4nonenonenoneC9H11N3O3209.2041.9565 ChemrytIQ
1000-84-6nonenonehighC4H9NO87.1215-6.3779 ChemrytIQ
100-14-1highhighlowC7H6NO2Cl171.583-7.5061 ChemrytIQ
100-77-6nonenonenoneC6H4N2Cl.Cl139.565-4.1248 ChemrytIQ
100-46-9nonenonenoneC7H9N107.155-2.0712 ChemrytIQ
1000279-69-5nonenonenoneC20H19N2O3ClS402.9015.7907 ChemrytIQ
1000018-71-2nonenonehighC14H19N3O4293.322-2.5213 ChemrytIQ
100018-96-0highhighnoneC20H39O2I438.428-31.232 ChemrytIQ
1000018-25-6nonenonenoneC13H24N2O6S336.408-32.405 ChemrytIQ
1000025-59-1nonenonenoneC14H11O3Cl262.691-1.449 ChemrytIQ
100-23-2nonehighnoneC8H10N2O2166.179-5.0759 ChemrytIQ
100004-94-2nonenonenoneC13H11NO2213.235-1.5864 ChemrytIQ
100010-21-7nonenonenoneC14H21NO219.327-4.2999 ChemrytIQ
1000018-13-2nonenonenoneC11H14NO2Br272.141-5.4951 ChemrytIQ
1000-05-1nonenonehighC8H26O3Si4282.635-83.299 ChemrytIQ
100-96-9highnonenoneC7H10N2O138.169-1.7412 ChemrytIQ
100-90-3nonenonenoneC14H16N4O3S320.3724.7301 ChemrytIQ
1000269-66-8nonenonenoneC12H20N4220.3190.5423 ChemrytIQ
1000339-24-1nonenonenoneC7H4NOF137.113-7.3916 ChemrytIQ
10000-20-1nonelowhighC12H32N2Si2260.572-64.51 ChemrytIQ
10-00-4nonenonenoneC28H34O8498.57-4.8409 ChemrytIQ
1000339-29-6nonenonenoneC14H15N2OBr307.19-5.8756 ChemrytIQ
100001-06-7nonenonenoneI.C20H28NO298.448-2.3411 ChemrytIQ
100-93-6highhighhighC19H18N2O2S338.43-12.848 ChemrytIQ
100-06-1nonenonenoneC9H10O2150.176-1.6836 ChemrytIQ
100031-76-3nonenonenoneC30H44NO8P577.652-46.719 ChemrytIQ
1000339-25-2nonenonenoneC14H8N2OBrF319.133-1.9975 ChemrytIQ
100-18-5nonenonenoneC12H18162.275-2.5088 ChemrytIQ
100020-94-8highnonelowC12H17OCl212.719-11.962 ChemrytIQ
100017-22-9highhighhighC5H8O2100.117-8.1063 ChemrytIQ
100-66-3highnonehighC7H8O108.14-2.0846 ChemrytIQ
100009-88-9nonenonenoneC18H45N7359.604-4.1108 ChemrytIQ