Basic information
- CAS
1020724-91-7- Standard SMILES
Cc1cc(CBr)n(-c2ccccc2)n1- InChIKey
OTKPPYWRCHXJBA-UHFFFAOYSA-N- Molecular formula
- C11H11BrN2
- Average molar mass
- 251.12 g/mol
- Monoisotopic mass
- 250.01056
Names & identifiers
- Preferred name
- 5-(bromomethyl)-3-methyl-1-phenyl-1H-pyrazole
- IUPAC
- 5-(bromomethyl)-3-methyl-1-phenylpyrazole
Names & synonyms
1020724-91-75-(bromomethyl)-3-methyl-1-phenyl-1H-pyrazole5-BROMOMETHYL-3-METHYL-N-PHENYL PYRAZOLEMFCD09475758SCHEMBL16050084DTXSID70628558OTKPPYWRCHXJBA-UHFFFAOYSA-NAKOS0253952755-(bromomethyl)-3-methyl-1-phenyl-pyrazoleA1-04760
Database identifiers
- CAS
1020724-91-7- PubChem CID
- 22832020
- DTXSID
DTXSID70628558
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 180
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…