Basic information
- Standard SMILES
CCOC(=O)c1nn(-c2ccccc2Cl)c(-c2ccc(Cl)cc2)c1CBr- InChIKey
FZTPPZGJHFINES-UHFFFAOYSA-N- Molecular formula
- C19H15BrCl2N2O2
- Average molar mass
- 454.1 g/mol
Names & identifiers
- Preferred name
- 4-Bromomethyl-1-(2-chloro-phenyl)-5-(4-chloro-phenyl)-1H-pyrazole-3-carboxylic acid ethyl ester
- IUPAC
- ethyl 4-(bromomethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazole-3-carboxylate
Names & synonyms
SCHEMBL4689858FZTPPZGJHFINES-UHFFFAOYSA-N4-Bromomethyl-1-(2-chloro-phenyl)-5-(4-chloro-phenyl)-1H-pyrazole-3-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 58760946
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 476
Related reactions
6 records
Compound notes
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