2-[2-(4-Chlorophenyl)ethenyl]-1,3,5-trinitrobenzene
Basic information
- CAS
61599-70-0- Standard SMILES
O=[N+]([O-])c1cc([N+](=O)[O-])c(C=Cc2ccc(Cl)cc2)c([N+](=O)[O-])c1- InChIKey
SSHFAPSAKDWQOY-UHFFFAOYSA-N- Molecular formula
- C14H8ClN3O6
- Average molar mass
- 349.68 g/mol
- Monoisotopic mass
- 349.0101627
Names & identifiers
- Preferred name
- 2-[2-(4-Chlorophenyl)ethenyl]-1,3,5-trinitrobenzene
- IUPAC
- 2-[2-(4-chlorophenyl)ethenyl]-1,3,5-trinitrobenzene
Names & synonyms
AC1NAFDJ61599-70-0DTXSID504034262-[2-(4-Chlorophenyl)ethen-1-yl]-1,3,5-trinitrobenzene
Database identifiers
- CAS
61599-70-0- PubChem CID
- 4451082
- DTXSID
DTXSID50403426
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 494
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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