(2-Chloro-4,5-difluorophenyl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone
Basic information
- CAS
5118-97-8- Standard SMILES
Cc1cc(C)n(C(=O)c2cc(F)c(F)cc2Cl)n1- InChIKey
DBJWNESIFWBTAJ-UHFFFAOYSA-N- Molecular formula
- C12H9ClF2N2O
- Average molar mass
- 270.66 g/mol
- Monoisotopic mass
- 270.0371469
Names & identifiers
- Preferred name
- (2-Chloro-4,5-difluorophenyl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone
- IUPAC
- (2-chloro-4,5-difluorophenyl)-(3,5-dimethylpyrazol-1-yl)methanone
Names & synonyms
5118-97-8(2-Chloro-4,5-difluorophenyl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone(2-chloro-4,5-difluorophenyl)-(3,5-dimethylpyrazol-1-yl)methanone1-(2-chloro-4,5-difluorobenzoyl)-3,5-dimethyl-1H-pyrazoleCBMicro_005027Cambridge id 5118978DTXSID90353577SMSF0003499CB07036BIM-0004984.P001AG-205/33771018
Database identifiers
- CAS
5118-97-8- PubChem CID
- 745441
- DTXSID
DTXSID90353577
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 331
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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