Basic information
- CAS
62230-39-1- Standard SMILES
Cc1nnc(-c2ccc(Cl)cc2)nc1C- InChIKey
ILQRPSOTPVOIDP-UHFFFAOYSA-N- Molecular formula
- C11H10ClN3
- Average molar mass
- 219.67 g/mol
- Monoisotopic mass
- 219.056325
Names & identifiers
- Preferred name
- 3-(4-Chlorophenyl)-5,6-dimethyl-1,2,4-triazine
- IUPAC
- 3-(4-chlorophenyl)-5,6-dimethyl-1,2,4-triazine
Names & synonyms
62230-39-13-(4-Chlorophenyl)-5,6-dimethyl-1,2,4-triazineDTXSID90494994
Database identifiers
- CAS
62230-39-1- PubChem CID
- 12374483
- DTXSID
DTXSID90494994
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 204
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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