Basic information
- CAS
1152880-20-0- Standard SMILES
O=[N+]([O-])c1cc(CNCc2ccc(Cl)cc2)ccc1Br- InChIKey
FHTOEULXTCSNPV-UHFFFAOYSA-N- Molecular formula
- C14H12BrClN2O2
- Average molar mass
- 355.61 g/mol
- Monoisotopic mass
- 353.97707
Names & identifiers
- Preferred name
- 4-Bromo-N-[(4-chlorophenyl)methyl]-3-nitrobenzenemethanamine
- IUPAC
- N-[(4-bromo-3-nitrophenyl)methyl]-1-(4-chlorophenyl)methanamine
Names & synonyms
4-Bromo-N-[(4-chlorophenyl)methyl]-3-nitrobenzenemethanamineDTXSID701184769AKOS0090042091152880-20-01-(4-Bromo-3-nitrophenyl)-N-[(4-chlorophenyl)methyl]methanamine
Database identifiers
- CAS
1152880-20-0- PubChem CID
- 43222575
- DTXSID
DTXSID701184769
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 57.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 319
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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