6-chloro-5,7-dimethyl-4-oxo-4H-1-benzopyran-2-carbonitrile

HCID 21392600
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Basic information

Standard SMILES
Cc1cc2oc(C#N)cc(=O)c2c(C)c1Cl
InChIKey
HCMMVAMWUTWLJS-UHFFFAOYSA-N
Molecular formula
C12H8ClNO2
Average molar mass
233.65 g/mol

Names & identifiers

Preferred name
6-chloro-5,7-dimethyl-4-oxo-4H-1-benzopyran-2-carbonitrile
IUPAC
6-chloro-5,7-dimethyl-4-oxochromene-2-carbonitrile

Names & synonyms

HCMMVAMWUTWLJS-UHFFFAOYSA-N6-chloro-5,7-dimethyl-4-oxo-4H-1-benzopyran-2-carbonitrile

Database identifiers

PubChem CID
21392600

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
50.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
16

Related reactions

6 records
New reaction record

Compound notes

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