Basic information
- CAS
62128-88-5- Standard SMILES
CC1=NN(c2cccc(OC(F)F)c2)C(=O)C1- InChIKey
VCGGHBYOQKZRQE-UHFFFAOYSA-N- Molecular formula
- C11H10F2N2O2
- Average molar mass
- 240.21 g/mol
- Monoisotopic mass
- 240.07103389
Names & identifiers
- Preferred name
- 3H-Pyrazol-3-one, 2-[3-(difluoromethoxy)phenyl]-2,4-dihydro-5-methyl-
- IUPAC
- 2-[3-(difluoromethoxy)phenyl]-5-methyl-4H-pyrazol-3-one
Names & synonyms
62128-88-51-(3-(Difluoromethoxy)phenyl)-3-methyl-1H-pyrazol-5(4H)-one3H-Pyrazol-3-one, 2-[3-(difluoromethoxy)phenyl]-2,4-dihydro-5-methyl-DTXSID30404658AKOS002528502SR-01000005850SR-01000005850-1Z568020022-[3-(Difluoromethoxy)phenyl]-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Database identifiers
- CAS
62128-88-5- PubChem CID
- 4592684
- DTXSID
DTXSID30404658
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 333
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…