Basic information
- CAS
30863-45-7- Standard SMILES
COc1nc(C)nc(C(Cl)(Cl)Cl)n1- InChIKey
URPRWILECKGGKP-UHFFFAOYSA-N- Molecular formula
- C6H6Cl3N3O
- Average molar mass
- 242.5 g/mol
- Monoisotopic mass
- 240.957645
Names & identifiers
- Preferred name
- 2-Methoxy-4-methyl-6-(trichloromethyl)-1,3,5-triazine
- IUPAC
- 2-methoxy-4-methyl-6-(trichloromethyl)-1,3,5-triazine
Names & synonyms
2-methoxy-4-methyl-6-(trichloromethyl)-1,3,5-triazine30863-45-7SCHEMBL821298CHEMBL2286850DTXSID80275330
Database identifiers
- CAS
30863-45-7- PubChem CID
- 35573
- DTXSID
DTXSID80275330- ChEMBL
CHEMBL2286850- Nikkaji
- J1.615.254D
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 47.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 175
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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