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CAS Number: 56394-22-0
6-bromo-4-methyl-2-oxo-2H-chromene-3-carbonitrile

Structure

 6-bromo-4-methyl-2-oxo-2H-chromene-3-carbonitrile
Name: 6-bromo-4-methyl-2-oxo-2H-chromene-3-carbonitrile
Synonyms:
General Information
Product Number: 56394220

CAS Registry Number 56394-22-0
Name:
2H-?1-?Benzopyran-?3-?carbonitrile, 6-?bromo-?4-?methyl-?2-?oxo-
6-Bromo-4-methyl-2-oxo-2H-1-benzopyran-3-carbonitrile
6-Bromo-4-methyl-2-oxo-2H-chromene-3-carbonitrile

 

Chemical Formula: C11H6BrNO2
Exact Mass: 262.96
Molecular Weight: 264.07
m/z: 262.96 (100.0%), 264.96 (98.4%), 263.96 (12.4%), 265.96 (11.7%), 266.96 (1.1%)

 

InChI：InChI=1S/C11H6BrNO2/c1-6-8-4-7(12)2-3-10(8)15-11(14)9(6)5-13/h2-4H,1H3

InChI Key：NPCFOYALAZMRDI-UHFFFAOYSA-N

Canonical SMILES：CC1=C(C(=O)OC2=C1C=C(C=C2)Br)C#N

 

Thermal Properties Value Condition Note
Melting Point 179-180 °C Solv: methanol (67-56-1) (2)CAS

Specification

98%
References
  1. (2) Kumar, Surender; Oriental Journal of Chemistry 2009, V25(4), P1145-1148 CAPLUS
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