Basic information
- CAS
5330-46-1- Standard SMILES
CCC(C(c1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1)[N+](=O)[O-]- InChIKey
FYMLWUOEFLJYOV-UHFFFAOYSA-N- Molecular formula
- C16H14Cl3NO2
- Average molar mass
- 358.6 g/mol
- Monoisotopic mass
- 357.009012
Names & identifiers
- Preferred name
- 1,2-Dichloro-4-[1-(4-chlorophenyl)-2-nitrobutyl]benzene
- IUPAC
- 1,2-dichloro-4-[1-(4-chlorophenyl)-2-nitrobutyl]benzene
Names & synonyms
1,2-dichloro-4-[1-(4-chlorophenyl)-2-nitrobutyl]benzene5330-46-1NSC24771-(4-CHLOROPHENYL)-1-(3,4-DICHLOROPHENYL)-2-NITROBUTANEDTXSID00967886NSC-2477
Database identifiers
- CAS
5330-46-1- PubChem CID
- 220152
- DTXSID
DTXSID00967886
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 369
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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