Benzeneacetic acid, α-amino-3-fluoro-4-(trifluoromethyl)-, methyl ester, hydrochloride (1:1), (αS)-

CAS Registry Number®

2061996-78-7
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CAS Name

Benzeneacetic acid, α-amino-3-fluoro-4-(trifluoromethyl)-, methyl ester, hydrochloride (1:1), (αS)-

Molecular Formula

C10H9F4NO2.ClH

Cite this Page

Benzeneacetic acid, α-amino-3-fluoro-4-(trifluoromethyl)-, methyl ester, hydrochloride (1:1), (αS)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2061996-78-7 (retrieved 2024-09-03) (CAS RN: 2061996-78-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C10H9F4NO2.ClH/c1-17-9(16)8(15)5-2-3-6(7(11)4-5)10(12,13)14;/h2-4,8H,15H2,1H3;1H/t8-;/m0./s1

InChIKey

InChIKey=VXVAIOKUHJANNX-QRPNPIFTSA-N

SMILES

C(F)(F)(F)C1=C(F)C=C([C@@H](C(OC)=O)N)C=C1.Cl

Canonical SMILES

Cl.O=C(OC)C(N)C1=CC=C(C(F)=C1)C(F)(F)F

Other Names for this Substance

  • Benzeneacetic acid, α-amino-3-fluoro-4-(trifluoromethyl)-, methyl ester, hydrochloride (1:1), (αS)-