3-Chloro-4-(dimethylamino)-5-methyl-6-phenyl-2H-pyran-2-one
Basic information
- CAS
76312-41-9- Standard SMILES
Cc1c(-c2ccccc2)oc(=O)c(Cl)c1N(C)C- InChIKey
ZUUVUZHSKQFRAZ-UHFFFAOYSA-N- Molecular formula
- C14H14ClNO2
- Average molar mass
- 263.72 g/mol
- Monoisotopic mass
- 263.0713064
Names & identifiers
- Preferred name
- 3-Chloro-4-(dimethylamino)-5-methyl-6-phenyl-2H-pyran-2-one
- IUPAC
- 3-chloro-4-(dimethylamino)-5-methyl-6-phenylpyran-2-one
Names & synonyms
76312-41-9NSC335683DTXSID203187753-Chloro-4-(dimethylamino)-5-methyl-6-phenyl-2H-pyran-2-oneNSC-335683DS-0141523-chloro-4-dimethylamino-5-methyl-6-phenyl-pyran-2-one
Database identifiers
- CAS
76312-41-9- PubChem CID
- 333558
- DTXSID
DTXSID20318775
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 418
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Compound notes
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