Basic information
- CAS
439097-20-8- Standard SMILES
Cc1nn2c(C(F)(F)Cl)cc(-c3ccc(C(F)(F)F)cc3)nc2c1Br- InChIKey
AVBUSOJGFKSESI-UHFFFAOYSA-N- Molecular formula
- C15H8BrClF5N3
- Average molar mass
- 440.59 g/mol
- Monoisotopic mass
- 438.95103
Names & identifiers
- Preferred name
- 3-Bromo-7-[chloro(difluoro)methyl]-2-methyl-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine
- IUPAC
- 3-bromo-7-[chloro(difluoro)methyl]-2-methyl-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine
- English name
- 3-Bromo-7-[chloro(difluoro)methyl]-2-methyl-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine
- Molecular formula
- C15H8BrClF5N3
- Molecular weight
- 440.59
Names & synonyms
439097-20-83-bromo-7-[chloro(difluoro)methyl]-2-methyl-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine3-bromo-7-(chlorodifluoromethyl)-2-methyl-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidineDTXSID101116510AKOS0050867222T-0851Pyrazolo[1,5-a]pyrimidine, 3-bromo-7-(chlorodifluoromethyl)-2-methyl-5-[4-(trifluoromethyl)phenyl]-
Database identifiers
- CAS
439097-20-8- PubChem CID
- 4640397
- DTXSID
DTXSID101116510
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 30.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 486
Chemistry & industry
Suppliers3 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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