(4-Amino-2,3-difluorophenyl)acetic acid

C₈H₇F₂NO₂CAS 835912-66-8187.15 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Primary amine

Properties

Molecular formula: C₈H₇F₂NO₂
Molar mass: 187.15 g/mol
Exact mass: 187.0445 Da
logP: 1.17Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

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

835912-66-8

SMILES

C1=CC(=C(C(=C1CC(=O)O)F)F)N

InChIKey

PGVRQGJEDKBSET-UHFFFAOYSA-N

InChI

InChI=1S/C8H7F2NO2/c9-7-4(3-6(12)13)1-2-5(11)8(7)10/h1-2H,3,11H2,(H,12,13)

Weigh it out

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

Work with (4-Amino-2,3-difluorophenyl)acetic 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-(2,3,4-Trifluorophenyl)acetic acid243666-12-866 % similar 2-Aminophenylacetic acid3342-78-756 % similar 2,3-Difluorobenzeneacetic acid145689-41-455 % similar 3-Chloro-2-fluorobenzeneacetic acid261762-96-354 % similar 4-Amino-2,3-difluorobenzoic acid194804-85-850 % similar 2,4-Difluorophenylacetic acid81228-09-348 % similar (2-Fluorophenyl)acetic acid451-82-147 % similar 1,2-Benzenediacetic acid7500-53-047 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Methyl 2-amino-4,5-difluorobenzoate207346-42-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook