N-[(3-Chloro-4-fluorophenyl)sulfonyl]-β-alanine

CAS Registry Number®

613657-34-4
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CAS Name

N-[(3-Chloro-4-fluorophenyl)sulfonyl]-β-alanine

Molecular Formula

C9H9ClFNO4S

Molecular Mass

281.69

Cite this Page

N-[(3-Chloro-4-fluorophenyl)sulfonyl]-β-alanine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=613657-34-4 (retrieved 2024-09-01) (CAS RN: 613657-34-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C9H9ClFNO4S/c10-7-5-6(1-2-8(7)11)17(15,16)12-4-3-9(13)14/h1-2,5,12H,3-4H2,(H,13,14)

InChIKey

InChIKey=QWDZIHCJRBNTMS-UHFFFAOYSA-N

SMILES

S(NCCC(O)=O)(=O)(=O)C1=CC(Cl)=C(F)C=C1

Canonical SMILES

O=C(O)CCNS(=O)(=O)C1=CC=C(F)C(Cl)=C1

Other Names for this Substance

  • β-Alanine, N-[(3-chloro-4-fluorophenyl)sulfonyl]-
  • N-[(3-Chloro-4-fluorophenyl)sulfonyl]-β-alanine