2-(2-Chlorophenyl)glycine

C₈H₈ClNO₂CAS 88744-36-9185.61 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
logP: 1.42Crippen 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

88744-36-9

SMILES

C1=CC=C(C(=C1)C(C(=O)O)N)Cl

InChIKey

LMIZLNPFTRQPSF-UHFFFAOYSA-N

InChI

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

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

Names and synonyms

1 names

Amino-(2-chloro-phenyl)-acetic acid

Work with 2-(2-Chlorophenyl)glycine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(αS)-α-Amino-2-chlorobenzeneacetic acid141315-50-6Defined stereoisomer D-(+)-(2-Chlorophenyl)glycine86169-24-6Defined stereoisomer 2-(2-Chlorophenyl)glycine141196-64-7

Similar compounds

2-Chloromandelic acid10421-85-963 % similar (-)-2-Chloromandelic acid52950-18-263 % similar (S)-2-Chloromandelic acid52950-19-363 % similar Benzeneacetic acid, α-amino-2-chloro-, methyl ester, (αS)-, (2R,3R)-2,3-dihydroxybutanedioate (1:1)141109-15-161 % similar α-Bromo-2-chlorobenzeneacetic acid141109-25-361 % similar (2-Fluorophenyl)glycine2343-27-361 % similar α-Bromo-2-chlorobenzeneacetic acid29270-30-261 % similar Methyl (αS)-α-amino-2-chlorobenzeneacetate141109-14-056 % similar

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

Same formula

Ethyl chloronicotinate1452-94-4 2-Amino-5-chloro-3-methylbenzoic acid20776-67-4 Ethyl 6-chloropicolinate21190-89-6 Methyl 2-Chloro-6-methylisonicotinate3998-90-1 Methyl 3-amino-4-chlorobenzoate40872-87-5 Methyl-5-amino-2-chlorobenzoate42122-75-8

Elsewhere

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