4-Bromo-n-(2-nitro-1-phenylethyl)aniline
Basic information
- CAS
60016-56-0- Standard SMILES
O=[N+]([O-])CC(Nc1ccc(Br)cc1)c1ccccc1- InChIKey
YLYUZXIYIHATHV-UHFFFAOYSA-N- Molecular formula
- C14H13BrN2O2
- Average molar mass
- 321.17 g/mol
- Monoisotopic mass
- 320.01604
Names & identifiers
- Preferred name
- 4-Bromo-n-(2-nitro-1-phenylethyl)aniline
- IUPAC
- 4-bromo-N-(2-nitro-1-phenylethyl)aniline
Names & synonyms
60016-56-04-bromo-n-(2-nitro-1-phenylethyl)anilineNSC160885DTXSID40303744NSC-160885DS-0052974-bromo-N-(2-nitro-1-phenyl-ethyl)aniline
Database identifiers
- CAS
60016-56-0- PubChem CID
- 293757
- DTXSID
DTXSID40303744
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 57.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 282
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Compound notes
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