1-(4-Bromophenyl)-5-phenyl-1H-pyrazole-4-carbaldehyde
Basic information
- CAS
1292636-77-1- Standard SMILES
O=Cc1cnn(-c2ccc(Br)cc2)c1-c1ccccc1- InChIKey
SBJUZMYPHXAATK-UHFFFAOYSA-N- Molecular formula
- C16H11BrN2O
- Average molar mass
- 327.17 g/mol
- Monoisotopic mass
- 326.00548
Names & identifiers
- Preferred name
- 1-(4-Bromophenyl)-5-phenyl-1H-pyrazole-4-carbaldehyde
- IUPAC
- 1-(4-bromophenyl)-5-phenylpyrazole-4-carbaldehyde
Names & synonyms
DTXSID401197846AKOS0106251561-(4-Bromophenyl)-5-phenyl-1H-pyrazole-4-carbaldehyde1H-Pyrazole-4-carboxaldehyde, 1-(4-bromophenyl)-5-phenyl-1292636-77-1
Database identifiers
- CAS
1292636-77-1- PubChem CID
- 61367759
- DTXSID
DTXSID401197846
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 324
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Compound notes
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