2-Amino-4,6-difluorobenzoic acid

C₇H₅F₂NO₂CAS 126674-77-9173.12 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

126674-77-9

SMILES

C1=C(C=C(C(=C1N)C(=O)O)F)F

InChIKey

TWSZCEBPTKBNBR-UHFFFAOYSA-N

InChI

InChI=1S/C7H5F2NO2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H,10H2,(H,11,12)

Weigh it out

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

Work with 2-Amino-4,6-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

2,4,6-Trifluorobenzoic acid28314-80-973 % similar 2-Amino-4-fluorobenzoic acid446-32-256 % similar 2,6-Difluoro-4-methoxybenzoic acid123843-65-250 % similar 4-Bromo-2,6-difluorobenzoic acid183065-68-150 % similar 3-Amino-4-fluorobenzoic acid2365-85-750 % similar 2-Amino-5-fluorobenzoic acid446-08-250 % similar 4-Amino-3-fluorobenzoic acid455-87-850 % similar 3,5-Difluoro-2-methylbenzoic acid1003710-06-249 % 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-3,5-difluorobenzoic acid126674-78-0 1,2-Difluoro-4-methyl-5-nitrobenzene127371-50-0 4-Amino-2,3-difluorobenzoic acid194804-85-8 3-Amino-2,6-difluorobenzoic acid83141-11-1

Elsewhere

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