3-chloro-5-methyl-4-(N-methylanilino)-6-phenylpyran-2-one
Basic information
- CAS
76312-43-1- Standard SMILES
Cc1c(-c2ccccc2)oc(=O)c(Cl)c1N(C)c1ccccc1- InChIKey
COKHEHBVLLNOAJ-UHFFFAOYSA-N- Molecular formula
- C19H16ClNO2
- Average molar mass
- 325.8 g/mol
- Monoisotopic mass
- 325.0869564
Names & identifiers
- Preferred name
- 3-chloro-5-methyl-4-(N-methylanilino)-6-phenylpyran-2-one
- IUPAC
- 3-chloro-5-methyl-4-(N-methylanilino)-6-phenylpyran-2-one
Names & synonyms
76312-43-13-chloro-5-methyl-4-(N-methylanilino)-6-phenylpyran-2-oneNSC335685DTXSID40318777NSC-335685DS-0133553-Chloro-5-methyl-4-[methyl(phenyl)amino]-6-phenyl-2H-pyran-2-one2H-PYRAN-2-ONE,3-CHLORO-5-METHYL-4-(METHYLPHENYLAMINO)-6-PHENYL-
Database identifiers
- CAS
76312-43-1- PubChem CID
- 333560
- DTXSID
DTXSID40318777
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 525
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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