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CAS Number: 56394-24-2
6-chloro-4-methyl-2-oxo-2H-chromene-3-carbonitrile

Structure

6-chloro-4-methyl-2-oxo-2H-chromene-3-carbonitrile
Name: 6-chloro-4-methyl-2-oxo-2H-chromene-3-carbonitrile
Synonyms:
General Information
Product Number: 56394242
CAS Registry Number: 56394-24-2
Name:
        2H-​1-​Benzopyran-​3-​carbonitrile, 6-​chloro-​4-​methyl-​2-​oxo-
 
Chemical Formula: C11H6ClNO2
Exact Mass: 219.01
Molecular Weight: 219.62
m/z: 219.01 (100.0%), 221.01 (32.4%), 220.01 (12.4%), 222.01 (3.9%)
Elemental Analysis: C, 60.16; H, 2.75; Cl, 16.14; N, 6.38; O, 14.57
 
InChI: InChI=1S/C11H6ClNO2/c1-6-8-4-7(12)2-3-10(8)15-11(14)9(6)5-13/h2-4H,1H3
InChIKey: JYTVXFGXASPMRG-UHFFFAOYSA-N
Canonical SMILES : CC1=C(C(=O)OC2=C1C=C(C=C2)Cl)C#N
 
Thermal Properties Value Condition Note
Melting Point 221 °C Solv: ethanol (64-17-5) (1)CAS

Specification

98%

References
  1. (1) Upadhyay, Kuldip; Bioorganic & Medicinal Chemistry Letters 2011, V21(8), P2547-2549 CAPLUS
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