5-Bromo-3-(trifluoromethyl)-4-isothiazolecarboxylic acid

CAS Registry Number®

1628451-87-5

CAS Name

5-Bromo-3-(trifluoromethyl)-4-isothiazolecarboxylic acid

Molecular Formula

C5HBrF3NO2S

Molecular Mass

276.03

Cite this Page

5-Bromo-3-(trifluoromethyl)-4-isothiazolecarboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1628451-87-5 (retrieved 2024-12-20) (CAS RN: 1628451-87-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C5HBrF3NO2S/c6-3-1(4(11)12)2(10-13-3)5(7,8)9/h(H,11,12)

InChIKey

InChIKey=OBADAPPKDBSNMT-UHFFFAOYSA-N

SMILES

C(O)(=O)C=1C(C(F)(F)F)=NSC1Br

Canonical SMILES

O=C(O)C1=C(Br)SN=C1C(F)(F)F

Other Names for this Substance

  • 4-Isothiazolecarboxylic acid, 5-bromo-3-(trifluoromethyl)-
  • 5-Bromo-3-(trifluoromethyl)-4-isothiazolecarboxylic acid
  • 5-Bromo-3-(trifluoromethyl)-isothiazole-4-carboxylic acid

CAS INSIGHTSTM
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