Basic information
- CAS
867338-57-6- Standard SMILES
Nc1cc(N)c([N+](=O)[O-])cc1Br- InChIKey
FPAHCLZIVANOHW-UHFFFAOYSA-N- Molecular formula
- C6H6BrN3O2
- Average molar mass
- 232.03 g/mol
- Monoisotopic mass
- 230.96434
Names & identifiers
- Preferred name
- 4-Bromo-6-nitro-benzene-1,3-diamine
- IUPAC
- 4-bromo-6-nitrobenzene-1,3-diamine
Names & synonyms
4-bromo-6-nitrobenzene-1,3-diamine867338-57-64-bromo-6-nitro-benzene-1,3-diamine4-Bromo-6-nitro-1,3-benzenediamineSCHEMBL13609636DTXSID101298475DB-367585
Database identifiers
- CAS
867338-57-6- PubChem CID
- 59837814
- DTXSID
DTXSID101298475- Nikkaji
- J802.401D
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 97.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 184
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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