Basic information
- Standard SMILES
Cc1c(Cl)ncnc1-c1ccc(C(F)(F)F)cc1- InChIKey
FWHNFPGLIDMZBO-UHFFFAOYSA-N- Molecular formula
- C12H8ClF3N2
- Average molar mass
- 272.65 g/mol
- Monoisotopic mass
- 272.0328104
Names & identifiers
- Preferred name
- 4-chloro-5-methyl-6-[4-(trifluoromethyl)phenyl]Pyrimidine
- IUPAC
- 4-chloro-5-methyl-6-[4-(trifluoromethyl)phenyl]pyrimidine
Names & synonyms
4-chloro-5-methyl-6-[4-(trifluoromethyl)phenyl]Pyrimidine637352-97-7SCHEMBL4720003AKOS014985159DA-04122
Database identifiers
- PubChem CID
- 18448403
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 277
Related reactions
6 records
Compound notes
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