Basic information
- CAS
1269291-89-5- Standard SMILES
N#Cc1cnn(-c2ccccc2Br)c1Br- InChIKey
WJWNOFJYKMTCQM-UHFFFAOYSA-N- Molecular formula
- C10H5Br2N3
- Average molar mass
- 326.97 g/mol
- Monoisotopic mass
- 324.88502
Names & identifiers
- Preferred name
- 5-Bromo-1-(2-bromophenyl)-1H-pyrazole-4-carbonitrile
- IUPAC
- 5-bromo-1-(2-bromophenyl)pyrazole-4-carbonitrile
- English name
- 5-bromo-1-(2-bromophenyl)-1H-pyrazole-4-carbonitrile
- Molecular formula
- C10H5Br2N3
- Molecular weight
- 326.97
Names & synonyms
5-BROMO-1-(2-BROMOPHENYL)-1H-PYRAZOLE-4-CARBONITRILE1269291-89-5DTXSID1012098361H-Pyrazole-4-carbonitrile, 5-bromo-1-(2-bromophenyl)-
Database identifiers
- CAS
1269291-89-5- PubChem CID
- 53429263
- DTXSID
DTXSID101209836
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 275
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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