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

CAS Registry Number®

612043-43-3
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CAS Name

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

Molecular Formula

C10H9ClF3NO4S

Molecular Mass

331.70

Cite this Page

N-[[4-Chloro-3-(trifluoromethyl)phenyl]sulfonyl]-β-alanine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=612043-43-3 (retrieved 2024-08-10) (CAS RN: 612043-43-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C10H9ClF3NO4S/c11-8-2-1-6(5-7(8)10(12,13)14)20(18,19)15-4-3-9(16)17/h1-2,5,15H,3-4H2,(H,16,17)

InChIKey

InChIKey=LESWHGIWOFMIHL-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

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

Deleted or Replaced CAS Registry Numbers

1331293-02-7