Basic information
- CAS
62230-42-6- Standard SMILES
Cc1cnc(-c2ccc(Cl)cc2)nn1- InChIKey
JBUBJXKNPUIZDF-UHFFFAOYSA-N- Molecular formula
- C10H8ClN3
- Average molar mass
- 205.64 g/mol
- Monoisotopic mass
- 205.040675
Names & identifiers
- Preferred name
- 3-(4-Chlorophenyl)-6-methyl-1,2,4-triazine
- IUPAC
- 3-(4-chlorophenyl)-6-methyl-1,2,4-triazine
Names & synonyms
62230-42-63-(4-Chlorophenyl)-6-methyl-1,2,4-triazineDTXSID70494997
Database identifiers
- CAS
62230-42-6- PubChem CID
- 12374486
- DTXSID
DTXSID70494997
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 180
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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