4-Amino-2,3-difluorobenzoic acid

C7H5F2NO2CAS 194804-85-8173.12 g/mol

Open in Covalent MOL file
H2NOOHFF
Aryl halideCarboxylic acidPrimary amine

Properties

Molecular formula
C7H5F2NO2
Molar mass
173.12 g/mol
Exact mass
173.0288 Da
logP
1.25Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
194804-85-8
SMILES
Nc1ccc(C(=O)O)c(F)c1F
InChIKey
NGORASPPURCGPF-UHFFFAOYSA-N
InChI
InChI=1S/C7H5F2NO2/c8-5-3(7(11)12)1-2-4(10)6(5)9/h1-2H,10H2,(H,11,12)

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Names and synonyms

1 names
  • Benzoic acid, 4-amino-2,3-difluoro-

Work with 4-Amino-2,3-difluorobenzoic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,3,4-Trifluorobenzoic acid61079-72-963 % similar 2,3-Difluoro-4-hydroxybenzoic acid175968-39-561 % similar 4-Chloro-2,3-difluorobenzoic acid150444-94-359 % similar 4-Bromo-2,3-difluorobenzoic acid194804-91-659 % similar 2,3-Difluoro-4-methylbenzoic acid261763-37-559 % similar 2-Amino-4-fluorobenzoic acid446-32-259 % similar 2,3-Difluoro-4-methoxybenzoic acid329014-60-058 % similar 2-Amino-5-fluorobenzoic acid446-08-257 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Amino-2,2-difluoro-1,3-benzodioxole106876-54-4 2-Amino-4,6-difluorobenzoic acid126674-77-9 2-Amino-3,5-difluorobenzoic acid126674-78-0 1,2-Difluoro-4-methyl-5-nitrobenzene127371-50-0 1,4-Difluoro-2-methyl-5-nitrobenzene141412-60-4 5-Amino-2,2-difluoro-1,3-benzodioxole1544-85-0 1,3-Difluoro-2-methyl-4-nitrobenzene79562-49-5 3-Amino-2,6-difluorobenzoic acid83141-11-1

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