Basic information
- CAS
1354705-73-9- Standard SMILES
Cc1c(I)cnn1CC(F)F- InChIKey
MLSCKKPVCCHZKW-UHFFFAOYSA-N- Molecular formula
- C6H7F2IN2
- Average molar mass
- 272.03 g/mol
- Monoisotopic mass
- 271.9622
Names & identifiers
- Preferred name
- 1-(2,2-difluoroethyl)-4-iodo-5-methyl-1H-pyrazole
- IUPAC
- 1-(2,2-difluoroethyl)-4-iodo-5-methylpyrazole
Names & synonyms
1-(2,2-difluoroethyl)-4-iodo-5-methyl-1H-pyrazole1354705-73-9MFCD245395571-(2,2-difluoroethyl)-4-iodo-5-methylpyrazole1-(2,2-difluoroethyl)-4-iodo-5-methyl-pyrazole1-(2,2-Difluoro-ethyl)-4-iodo-5-methyl-1H-pyrazoleDTXSID701225460EEC70573SBB074062STL415153AKOS015920930EN300-232773
Show more names
1H-Pyrazole, 1-(2,2-difluoroethyl)-4-iodo-5-methyl-
Database identifiers
- CAS
1354705-73-9- PubChem CID
- 60136680
- DTXSID
DTXSID701225460
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 134
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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