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CAS Number: 54769-25-4
2-(5-chloro-2-oxobenzo[d]thiazol-3(2H)-yl)acetic acid

Structure

 2-(5-chloro-2-oxobenzo[d]thiazol-3(2H)-yl)acetic acid
Name: 2-(5-chloro-2-oxobenzo[d]thiazol-3(2H)-yl)acetic acid
Synonyms:
General Information
Product Number: 54769254

CAS Registry Number 54769-25-4
Name:
3(2H)?-?Benzothiazoleacetic acid, 5-?chloro-?2-?oxo-
3-Benzothiazolineacetic acid, 5-chloro-2-oxo- (6CI)
5-Chloro-2-oxo-3(2H)-benzothiazoleacetic acid
(5-Chloro-2-oxo-1,3-benzothiazol-3(2H)-yl)acetic acid
3-Carboxymethyl-5-chloro-2(3H)-benzothiazolone

 

Chemical Formula: C9H6ClNO3S
Exact Mass: 242.98
Molecular Weight: 243.67
m/z: 242.98 (100.0%), 244.97 (36.5%), 243.98 (10.7%), 245.98 (3.3%), 246.97 (1.5%), 244.98 (1.2%)

 

InChI:InChI=1S/C9H6ClNO3S/c10-5-1-2-7-6(3-5)11(4-8(12)13)9(14)15-7/h1-3H,4H2,(H,12,13)

InChI Key:MYTTVLWLGMIDQY-UHFFFAOYSA-N

Canonical SMILES:C1=CC2=C(C=C1Cl)N(C(=O)S2)CC(=O)O

 

Thermal Properties Value Condition Note
Melting Point 250-251 °C Solv: ethanol (64-17-5) (1)IC

Specification

98%
References
  1. (1) D'Amico, John J.; Journal of Heterocyclic Chemistry 1988, V25(4), P1183-90 CAPLUS
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