structure of (S)-3-amino-2-(4-chlorophenyl)propanoic acid hydrochloride

(S)-3-amino-2-(4-chlorophenyl)propanoic acid hydrochloride

CAS No.: 1001180-07-9
M. Wt: 236.09500
M. Fa: C9H11Cl2NO2
InChI Key: QXXPTPVCRXGNGP-DDWIOCJRSA-N

Names and Identifiers of 1001180-07-9

CAS Number

1001180-07-9

IUPAC Name

(2S)-3-amino-2-(4-chlorophenyl)propanoic acid;hydrochloride

InChI

InChI=1S/C9H10ClNO2.ClH/c10-7-3-1-6(2-4-7)8(5-11)9(12)13;/h1-4,8H,5,11H2,(H,12,13);1H/t8-;/m1./s1

InChIKey

QXXPTPVCRXGNGP-DDWIOCJRSA-N

Canonical SMILES

C1=CC(=CC=C1C(CN)C(=O)O)Cl.Cl

Isomeric SMILES

C1=CC(=CC=C1[C@@H](CN)C(=O)O)Cl.Cl

Physical and chemical properties of 1001180-07-9

Exact Mass

235.01700

LogP

2.96920

Molecular Formula

C9H11Cl2NO2

Molecular Weight

236.09500

PSA

63.32000

Retrosynthesis analysis of 1001180-07-9

  • Route#1

    Cas:1001180-04-6
    Cas:1001180-07-9