Basic information
- CAS
1049773-03-6- Standard SMILES
Cn1ncc(C#N)c1C(F)(F)Cl- InChIKey
XMOLCSJGHKVPKI-UHFFFAOYSA-N- Molecular formula
- C6H4ClF2N3
- Average molar mass
- 191.56 g/mol
- Monoisotopic mass
- 191.0061812
Names & identifiers
- Preferred name
- 5-[Chloro(difluoro)methyl]-1-methylpyrazole-4-carbonitrile
- IUPAC
- 5-[chloro(difluoro)methyl]-1-methylpyrazole-4-carbonitrile
Names & synonyms
SCHEMBL1195491XMOLCSJGHKVPKI-UHFFFAOYSA-NDTXSID6011844591049773-03-65-[chloro(difluoro)methyl]-1-methylpyrazole-4-carbonitrile5-(Chlorodifluoromethyl)-1-methyl-1H-pyrazole-4-carbonitrile5-[Chloro(difluoro)methyl]-1-methyl-1H-pyrazole-4-carbonitrile
Database identifiers
- CAS
1049773-03-6- PubChem CID
- 24993453
- DTXSID
DTXSID601184459
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 224
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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