2-(2-Chlorophenyl)glycine

C₈H₈ClNO₂CAS 141196-64-7185.61 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

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

141196-64-7

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)

Weigh it out

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

Names and synonyms

1 names

Dl-2-(2-chlorophenyl)glycine

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.

(2S)-2-Amino-2-(2-chlorophenyl)acetic acid141315-50-6Defined stereoisomer D-(+)-(2-Chlorophenyl)glycine86169-24-6Defined stereoisomer 2-(2-Chlorophenyl)glycine88744-36-9

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 Alpha-Bromo-2-chlorobenzeneacetic acid141109-25-361 % similar (2-Fluorophenyl)glycine2343-27-361 % similar Alpha-Bromo-2-chlorobenzeneacetic acid29270-30-261 % similar Methyl (alphaS)-alpha-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 Methyl 4-amino-2-chlorobenzoate46004-37-9

Elsewhere

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