1-(2-bromophenyl)-5-chloro-1H-pyrazole-4-carbonitrile
Basic information
- CAS
1269292-36-5- Standard SMILES
N#Cc1cnn(-c2ccccc2Br)c1Cl- InChIKey
XMBKGBLSDGNGEI-UHFFFAOYSA-N- Molecular formula
- C10H5BrClN3
- Average molar mass
- 282.52 g/mol
- Monoisotopic mass
- 280.93554
Names & identifiers
- Preferred name
- 1-(2-bromophenyl)-5-chloro-1H-pyrazole-4-carbonitrile
- IUPAC
- 1-(2-bromophenyl)-5-chloropyrazole-4-carbonitrile
- English name
- 1-(2-bromophenyl)-5-chloro-1H-pyrazole-4-carbonitrile
- Molecular formula
- C10H5BrClN3
- Molecular weight
- 282.52
Names & synonyms
1269292-36-51-(2-Bromo-phenyl)-5-chloro-1H-pyrazole-4-carbonitrile1-(2-bromophenyl)-5-chloro-1H-pyrazole-4-carbonitrileDTXSID4012045041H-Pyrazole-4-carbonitrile, 1-(2-bromophenyl)-5-chloro-
Database identifiers
- CAS
1269292-36-5- PubChem CID
- 56956017
- DTXSID
DTXSID401204504
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
- 277
Physicochemical properties
- Boiling point
- 415.2 · 415.2±35.0 °C(Predicted)
- Density
- 1.65 · 1.65±0.1 g/cm3(Predicted)
- pka
- -6.55 · -6.55±0.10(Predicted)
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Compound notes
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