Basic information
- Standard SMILES
Cc1ccc(-c2c(Cl)nc(-c3ccccc3)nc2Cl)cc1- InChIKey
HFCVDVJUZMBRQI-UHFFFAOYSA-N- Molecular formula
- C17H12Cl2N2
- Average molar mass
- 315.2 g/mol
Names & identifiers
- Preferred name
- 5-(4-Methylphenyl)-4,6-dichloro-2-phenylpyrimidine
- IUPAC
- 4,6-dichloro-5-(4-methylphenyl)-2-phenylpyrimidine
Names & synonyms
SCHEMBL8660654HFCVDVJUZMBRQI-UHFFFAOYSA-NAKOS017984579DB-0905134,6-Dichloro-2-phenyl-5-p-tolyl-pyrimidine5-(4-methylphenyl)-4,6-dichloro-2-phenylpyrimidine51328-06-4
Database identifiers
- PubChem CID
- 19689470
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 313
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical structure
Related reactions
2 records
Compound notes
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