α-Amino-4-chlorobenzeneacetic acid

C₈H₈ClNO₂CAS 7292-70-8185.61 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Primary amine

Properties

Molecular formula: C₈H₈ClNO₂
Molar mass: 185.61 g/mol
Exact mass: 185.0244 Da
Melting point: 141 °C
logP: 1.42Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Identifiers

CAS number

7292-70-8

SMILES

NC(C(=O)O)c1ccc(Cl)cc1

InChIKey

QGJGBYXRJVIYGA-UHFFFAOYSA-N

InChI

InChI=1S/C8H8ClNO2/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7H,10H2,(H,11,12)

Weigh it out

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

Names and synonyms

7 names

Benzeneacetic acid, α-amino-4-chloro-
Glycine, 2-(p-chlorophenyl)-
2-(4-Chlorophenyl)glycine
DL-2-(p-Chlorophenyl)glycine
DL-(4-Chlorophenyl)glycine
2-Amino-2-(4-chlorophenyl)acetic acid
α-(p-Chlorophenyl)glycine

Work with α-Amino-4-chlorobenzeneacetic 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

D-P-Hydroxyphenylglycine22818-40-268 % similar Oxfenicine32462-30-968 % similar Dl-P-hydroxyphenylglycine938-97-668 % similar L-Phenylglycine2935-35-565 % similar Dl-phenylglycine69-91-065 % similar (-)-Phenylglycine875-74-165 % similar 2-Amino-2-(4-methylphenyl)acetic acid13227-01-564 % similar 4-Fluorophenylglycine7292-73-164 % similar

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

Same formula

(αS)-α-Amino-2-chlorobenzeneacetic acid141315-50-6 2-Amino-5-chloro-3-methylbenzoic acid20776-67-4 Ethyl 6-chloronicotinate49608-01-7 Methyl 2-amino-5-chlorobenzoate5202-89-1 Methyl 2-amino-4-chlorobenzoate5900-58-3 1-(Chloromethyl)-2-methyl-3-nitrobenzene60468-54-4 α-Amino-4-chlorobenzeneacetic acid6212-33-5 Methyl 2-amino-3-chlorobenzoate77820-58-7

Elsewhere

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