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CAS Number: 95312-11-1
5-(bromomethyl)isoxazole-3-carboxylic acid

Structure

5-(bromomethyl)isoxazole-3-carboxylic acid
Name: 5-(bromomethyl)isoxazole-3-carboxylic acid
Synonyms:
General Information
Product Number: 95312111
CAS Registry Number: 95312-11-1
Name:
3-​Isoxazolecarboxylic acid, 5-​(bromomethyl)​-
5-​(Bromomethyl)​-​3-​isoxazolecarboxylic acid 
 
Chemical Formula: C5H4BrNO3
Exact Mass: 204.94
Molecular Weight: 205.99
m/z: 204.94 (100.0%), 206.94 (98.0%), 205.94 (5.6%), 207.94 (5.4%)
Elemental Analysis: C, 29.15; H, 1.96; Br, 38.79; N, 6.80; O, 23.30
 
InChI: InChI=1S/C5H4BrNO3/c6-2-3-1-4(5(8)9)7-10-3/h1H,2H2,(H,8,9)
InChIKey: NLVFKSGKVJTKSU-UHFFFAOYSA-N
Canonical SMILES : C1=C(ON=C1C(=O)O)CBr
 
Thermal Properties Value Condition Note
Melting Point 143-148 °C   (1)IC

Specification

98%

References
  1. (1) Sircar, Jagadish C.; Journal of Organic Chemistry 1985, V50(26), P5723-7 CAPLUS
  2. (2) Coteron, Jose M.; Journal of Medicinal Chemistry 2010, V53(16), P6129-6152 CAPLUS
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