2-Amino-4,5-difluorobenzoic acid

C₇H₅F₂NO₂CAS 83506-93-8173.12 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

Hazards

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

Identifiers

CAS number

83506-93-8

SMILES

C1=C(C(=CC(=C1F)F)N)C(=O)O

InChIKey

DGOZIZVTANAGCA-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 2-Amino-4,5-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

4,5-Difluorophthalic acid18959-31-473 % similar 2,4,5-Trifluorobenzoic acid446-17-368 % similar 4-Amino-2-fluoro-5-methoxybenzoic acid1001346-91-366 % similar 4,5-Difluoro-2-iodobenzoic acid130137-05-261 % similar 3-Amino-2,5,6-trifluorobenzoic acid133622-65-861 % similar 2-Amino-5-fluorobenzoic acid446-08-261 % similar 2-Chloro-4,5-difluorobenzoic acid110877-64-059 % similar 4,5-Difluoro-2-methylbenzoic acid183237-86-759 % 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 4-Amino-2,3-difluorobenzoic acid194804-85-8 1,3-Difluoro-2-methyl-4-nitrobenzene79562-49-5

Elsewhere

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