Basic information
- CAS
111373-04-7- Standard SMILES
O=[N+]([O-])c1ccc(N2CCN(c3nc(Cl)nc(Cl)n3)CC2)cc1- InChIKey
PFAWPSNDQSTEBG-UHFFFAOYSA-N- Molecular formula
- C13H12Cl2N6O2
- Average molar mass
- 355.18 g/mol
- Monoisotopic mass
- 354.039879
Names & identifiers
- Preferred name
- 1,3,5-Triazine, 2,4-dichloro-6-(4-(4-nitrophenyl)-1-piperazinyl)-
- IUPAC
- 2,4-dichloro-6-[4-(4-nitrophenyl)piperazin-1-yl]-1,3,5-triazine
Names & synonyms
1,3,5-Triazine, 2,4-dichloro-6-(4-(4-nitrophenyl)-1-piperazinyl)-111373-04-72,4-dichloro-6-[4-(4-nitrophenyl)piperazin-1-yl]-1,3,5-triazineDTXSID40149609
Database identifiers
- CAS
111373-04-7- PubChem CID
- 183264
- DTXSID
DTXSID40149609
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 91 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 400
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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