Basic information
- CAS
3599-82-4- Standard SMILES
COc1ccc(-c2nc(-c3ccccc3)nc(C(Cl)(Cl)Cl)n2)cc1- InChIKey
ZCPQTUITJFEYKI-UHFFFAOYSA-N- Molecular formula
- C17H12Cl3N3O
- Average molar mass
- 380.7 g/mol
- Monoisotopic mass
- 379.004595
Names & identifiers
- Preferred name
- 2-(4-Methoxyphenyl)-4-phenyl-6-(trichloromethyl)-1,3,5-triazine
- IUPAC
- 2-(4-methoxyphenyl)-4-phenyl-6-(trichloromethyl)-1,3,5-triazine
Names & synonyms
2-(4-methoxyphenyl)-4-phenyl-6-(trichloromethyl)-1,3,5-triazine3599-82-4DTXSID70274630
Database identifiers
- CAS
3599-82-4- PubChem CID
- 19207
- DTXSID
DTXSID70274630- Nikkaji
- J1.559.548E
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 47.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 393
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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