Basic information
- CAS
82671-84-9- Standard SMILES
Cc1[nH]n(-c2ccccc2)c(=O)c1C(=O)c1ccccc1Cl- InChIKey
IMSJQIJJSOXWJW-UHFFFAOYSA-N- Molecular formula
- C17H13ClN2O2
- Average molar mass
- 312.7 g/mol
- Monoisotopic mass
- 312.0665554
Names & identifiers
- Preferred name
- 4-(2-Chlorobenzoyl)-5-methyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
- IUPAC
- 4-(2-chlorobenzoyl)-5-methyl-2-phenyl-1H-pyrazol-3-one
Names & synonyms
82671-84-9DTXSID805119424-(2-Chlorobenzoyl)-5-methyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Database identifiers
- CAS
82671-84-9- PubChem CID
- 12868614
- DTXSID
DTXSID80511942
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 497
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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