Basic information
- CAS
77458-28-7- Standard SMILES
Oc1cnn(-c2ccccc2Cl)c1- InChIKey
LMJROHRJJIZESY-UHFFFAOYSA-N- Molecular formula
- C9H7ClN2O
- Average molar mass
- 194.62 g/mol
- Monoisotopic mass
- 194.0246905
Names & identifiers
- Preferred name
- 1-(2-chlorophenyl)-1H-pyrazol-4-ol
- IUPAC
- 1-(2-chlorophenyl)pyrazol-4-ol
Names & synonyms
1-(2-chlorophenyl)-1H-pyrazol-4-ol77458-28-7DTXSID501298358
Database identifiers
- CAS
77458-28-7- PubChem CID
- 12901074
- DTXSID
DTXSID501298358
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 179
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…