Basic information
- Standard SMILES
C/C(I)=C/COc1ccn(-c2ccc(Cl)cc2)n1- InChIKey
OCUKZNAISOOFJX-YFHOEESVSA-N- Molecular formula
- C13H12ClIN2O
- Average molar mass
- 374.6 g/mol
Names & identifiers
- Preferred name
- 1-(4-chlorophenyl)-3-[(Z)-3-iodobut-2-enoxy]pyrazole
- IUPAC
- 1-(4-chlorophenyl)-3-[(Z)-3-iodobut-2-enoxy]pyrazole
Names & synonyms
SCHEMBL15058563OCUKZNAISOOFJX-YFHOEESVSA-N1-(4-chlorophenyl)-3-[(Z)-3-iodobut-2-enoxy]pyrazole
Database identifiers
- PubChem CID
- 89650382
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 27.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 293
Related reactions
2 records
Compound notes
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