4-Amino-2,3-difluorobenzoic acid

C₇H₅F₂NO₂CAS 194804-85-8173.12 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Primary 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 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

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)

Weigh it out

Type any one amount. The others follow from the molar mass.

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-Amino-4-fluorobenzoic acid446-32-259 % similar 2,3-Difluoro-4-methoxybenzoic acid329014-60-058 % similar 2-Amino-5-fluorobenzoic acid446-08-257 % similar 5-Hydroxyanthranilic acid394-31-054 % similar 2-Aminoterephthalic acid10312-55-753 % similar Anthranilic acid118-92-352 % similar 2,3-Difluorobenzoic acid4519-39-551 % 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 3-Amino-2,6-difluorobenzoic acid83141-11-1

Elsewhere

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