N-(4-Nitrophenyl)benzenecarbohydrazonoyl bromide
Basic information
- CAS
962-13-0- Standard SMILES
O=[N+]([O-])c1ccc(NN=C(Br)c2ccccc2)cc1- InChIKey
BNXSRUVQYMMQEZ-UHFFFAOYSA-N- Molecular formula
- C13H10BrN3O2
- Average molar mass
- 320.14 g/mol
- Monoisotopic mass
- 318.99564
Names & identifiers
- Preferred name
- N-(4-Nitrophenyl)benzenecarbohydrazonoyl bromide
- IUPAC
- N-(4-nitrophenyl)benzenecarbohydrazonoyl bromide
- English name
- N-(4-Nitrophenyl)benzenecarbohydrazonoylbromide
- Molecular formula
- C13H10BrN3O2
- Molecular weight
- 320.14
Names & synonyms
962-13-0N-(4-Nitrophenyl)benzenecarbohydrazonoyl bromideDTXSID201240493Benzoyl bromide 4-nitrophenylhydrazoneN-(4-nitrophenyl)benzohydrazonoyl bromideN-(4-Nitrophenyl)benzenecarbohydrazonoylbromideBenzenecarbohydrazonoyl bromide, N-(4-nitrophenyl)-1-(4-Nitrophenyl)-2-(bromophenylmethylene)hydrazine
Database identifiers
- CAS
962-13-0- PubChem CID
- 13753
- DTXSID
DTXSID201240493
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 329
Physicochemical properties
- Melting point
- 179 · 179-181 °C(Solv: isopropanol (67-63-0))
- Boiling point
- 437.3 · 437.3±47.0 °C(Predicted)
- Density
- 1.5 · 1.50±0.1 g/cm3(Predicted)
- pka
- 13.73 · 13.73±0.10(Predicted)
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Related reactions
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Compound notes
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