6-(6-Chloro-4-phenylpyrimidin-2(1H)-ylidene)cyclohexa-2,4-dien-1-one
Basic information
- CAS
88236-10-6- Standard SMILES
Oc1ccccc1-c1nc(Cl)cc(-c2ccccc2)n1- InChIKey
WFSFNWHKIIUJHL-UHFFFAOYSA-N- Molecular formula
- C16H11ClN2O
- Average molar mass
- 282.72 g/mol
- Monoisotopic mass
- 282.0559907
Names & identifiers
- Preferred name
- 6-(6-Chloro-4-phenylpyrimidin-2(1H)-ylidene)cyclohexa-2,4-dien-1-one
- IUPAC
- 2-(4-chloro-6-phenylpyrimidin-2-yl)phenol
Names & synonyms
88236-10-6DTXSID008295166-(6-Chloro-4-phenylpyrimidin-2(1H)-ylidene)cyclohexa-2,4-dien-1-one
Database identifiers
- CAS
88236-10-6- PubChem CID
- 136258043
- DTXSID
DTXSID00829516
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 46 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 309
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Compound notes
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