1,3-Butanedione, 2-chloro-1-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-
Basic information
- CAS
87100-95-6- Standard SMILES
CC(=O)C(Cl)C(=O)c1c(C)[nH]n(-c2ccccc2)c1=O- InChIKey
GONPYUBKJWNWKB-UHFFFAOYSA-N- Molecular formula
- C14H13ClN2O3
- Average molar mass
- 292.72 g/mol
- Monoisotopic mass
- 292.06147
Names & identifiers
- Preferred name
- 1,3-Butanedione, 2-chloro-1-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-
- IUPAC
- 2-chloro-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)butane-1,3-dione
Names & synonyms
87100-95-6NSC3620942-Chloro-1-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)butane-1,3-dioneDTXSID303206221,3-Butanedione, 2-chloro-1-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-NSC-3620942-Chloro-1-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)butane-1,3-dione1, 2-chloro-1-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-2-chloro-1-(5-hydroxy-3-methyl-1-phenyl-pyrazol-4-yl)butane-1,3-dione
Database identifiers
- CAS
87100-95-6- PubChem CID
- 338689
- DTXSID
DTXSID30320622
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 481
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…