(βS)-β-Amino-3,4-difluorobenzenepropanoic acid

CAS Registry Number®

447416-70-8
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CAS Name

(βS)-β-Amino-3,4-difluorobenzenepropanoic acid

Molecular Formula

C9H9F2NO2

Molecular Mass

201.17

Cite this Page

(βS)-β-Amino-3,4-difluorobenzenepropanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=447416-70-8 (retrieved 2024-09-10) (CAS RN: 447416-70-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    225-227 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H9F2NO2/c10-6-2-1-5(3-7(6)11)8(12)4-9(13)14/h1-3,8H,4,12H2,(H,13,14)/t8-/m0/s1

InChIKey

InChIKey=BBQXXTOCYJPXDI-QMMMGPOBSA-N

SMILES

[C@@H](CC(O)=O)(N)C1=CC(F)=C(F)C=C1

Canonical SMILES

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

Other Names for this Substance

  • Benzenepropanoic acid, β-amino-3,4-difluoro-, (βS)-
  • (βS)-β-Amino-3,4-difluorobenzenepropanoic acid
  • (3S)-3-Amino-3-(3,4-difluorophenyl)propanoic acid
  • (S)-3-Amino-3-(3,4-difluorophenyl)propanoic acid