Basic information
- CAS
491597-64-9- Standard SMILES
CC1=NN(c2ccc(Br)cc2)C(=O)C1=CNc1ccc([N+](=O)[O-])cc1C- InChIKey
DBYXBFVAYGGSNC-UHFFFAOYSA-N- Molecular formula
- C18H15BrN4O3
- Average molar mass
- 415.2 g/mol
Names & identifiers
- Preferred name
- CID 6798228
- IUPAC
- 2-(4-bromophenyl)-5-methyl-4-[(2-methyl-4-nitroanilino)methylidene]pyrazol-3-one
- English name
- 2-(4-bromophenyl)-4-({4-nitro-2-methylanilino}methylene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
- Molecular formula
- C18H15BrN4O3
- Molecular weight
- 415.24
Names & synonyms
2-(4-bromophenyl)-4-({4-nitro-2-methylanilino}methylene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Database identifiers
- CAS
491597-64-9
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 90.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 622
Physicochemical properties
- Boiling point
- 528.53 · 528.530±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.535 · 1.535±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 5.633 · 5.633±0.20(predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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