Basic information
- Standard SMILES
O=[N+]([O-])c1nn(Cc2ccccc2)cc1CBr- InChIKey
QKURKDAAKTXYTN-UHFFFAOYSA-N- Molecular formula
- C11H10BrN3O2
- Average molar mass
- 296.12 g/mol
Names & identifiers
- Preferred name
- 1-benzyl-4-(bromomethyl)-3-nitro-1H-pyrazole
- IUPAC
- 1-benzyl-4-(bromomethyl)-3-nitropyrazole
Names & synonyms
1-benzyl-4-(bromomethyl)-3-nitro-1H-pyrazoleSCHEMBL9912545QKURKDAAKTXYTN-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 67963012
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 266
Related reactions
2 records
Compound notes
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