2,4-Dibromo-6-((4-nitro-phenylimino)-methyl)-phenol
Basic information
- CAS
83952-38-9- Standard SMILES
O=[N+]([O-])c1ccc(N=Cc2cc(Br)cc(Br)c2O)cc1- InChIKey
DOAUIGAVJRBGJC-UHFFFAOYSA-N- Molecular formula
- C13H8Br2N2O3
- Average molar mass
- 400.02 g/mol
- Monoisotopic mass
- 397.89017
Names & identifiers
- Preferred name
- 2,4-Dibromo-6-((4-nitro-phenylimino)-methyl)-phenol
- IUPAC
- 2,4-dibromo-6-[(4-nitrophenyl)iminomethyl]phenol
- English name
- 2,4-Dibromo-6-((4-nitro-phenylimino)-methyl)-phenol
- Molecular formula
- C13H8Br2N2O3
- Molecular weight
- 400.02
Names & synonyms
2-[(1E)-2-(4-nitrophenyl)-2-azavinyl]-4,6-dibromophenolAKOS024275189ST0104042,4-DIBROMO-6-((4-NITRO-PHENYLIMINO)-METHYL)-PHENOLPhenol, 2,4-dibromo-6-[[(4-nitrophenyl)imino]methyl]-
Database identifiers
- CAS
83952-38-9- PubChem CID
- 3380205
- EC Number
- 167-365-7
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 367
Physicochemical properties
- Boiling point
- 493.513 · 493.513±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.84 · 1.840±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 5.953 · 5.953±0.48(predicted)
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Compound notes
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