Basic information
- CAS
24478-16-8- Standard SMILES
COc1cc([N+](=O)[O-])ccc1Sc1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1- InChIKey
JYOXRTLKHPBYQL-UHFFFAOYSA-N- Molecular formula
- C12H6Cl6N4O3S
- Average molar mass
- 499 g/mol
- Monoisotopic mass
- 495.829177
Names & identifiers
- Preferred name
- 2-(2-Methoxy-4-nitrophenyl)sulfanyl-4,6-bis(trichloromethyl)-1,3,5-triazine
- IUPAC
- 2-(2-methoxy-4-nitrophenyl)sulfanyl-4,6-bis(trichloromethyl)-1,3,5-triazine
Names & synonyms
2-(2-methoxy-4-nitrophenyl)sulfanyl-4,6-bis(trichloromethyl)-1,3,5-triazine24478-16-8DTXSID302749542-[(2-methoxy-4-nitrophenyl)sulfanyl]-4,6-bis(trichloromethyl)-1,3,5-triazine
Database identifiers
- CAS
24478-16-8- PubChem CID
- 32434
- DTXSID
DTXSID30274954- Nikkaji
- J1.611.261E
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 481
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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