Basic information
- CAS
3599-72-2- Standard SMILES
O=[N+]([O-])c1cccc(-c2nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n2)c1- InChIKey
SENSTYFJFZFLBF-UHFFFAOYSA-N- Molecular formula
- C11H4Cl6N4O2
- Average molar mass
- 436.9 g/mol
- Monoisotopic mass
- 433.846542
Names & identifiers
- Preferred name
- 2-(3-Nitrophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine
- IUPAC
- 2-(3-nitrophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine
Names & synonyms
2-(3-nitrophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine3599-72-2DTXSID20274625
Database identifiers
- CAS
3599-72-2- PubChem CID
- 19199
- DTXSID
DTXSID20274625- Nikkaji
- J1.559.527B
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 416
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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