6-chloro-3,4-dihydro-3-dimethylaminomethylene-4-oxo-2H-1-benzopyran

HCID 4421135
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Basic information

Standard SMILES
CN(C)C=C1COc2ccc(Cl)cc2C1=O
InChIKey
JCCGUZOJHMHZKT-UHFFFAOYSA-N
Molecular formula
C12H12ClNO2
Average molar mass
237.68 g/mol
Monoisotopic mass
237.0556563

Names & identifiers

Preferred name
6-chloro-3,4-dihydro-3-dimethylaminomethylene-4-oxo-2H-1-benzopyran
IUPAC
6-chloro-3-(dimethylaminomethylidene)chromen-4-one

Names & synonyms

SCHEMBL9537842JCCGUZOJHMHZKT-UHFFFAOYSA-N6-chloro-3,4-dihydro-3-dimethylaminomethylene-4-oxo-2H-1-benzopyran

Database identifiers

PubChem CID
4421135

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
29.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
16

Related reactions

5 records
New reaction record

Compound notes

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