Basic information
- Standard SMILES
[O-][N+](=Cc1ccccc1)c1ccc(Cl)cc1- InChIKey
SQFOKZCBFNORNB-UHFFFAOYSA-N- Molecular formula
- C13H10ClNO
- Average molar mass
- 231.68 g/mol
Names & identifiers
- Preferred name
- Benzaldehyde-4-chlorophenylnitrone
- IUPAC
- N-(4-chlorophenyl)-1-phenylmethanimine oxide
Names & synonyms
MLS002707223Benzaldehyde-4-chlorophenylnitroneSCHEMBL2240392CHEMBL1701411SQFOKZCBFNORNB-UHFFFAOYSA-Nalpha-Phenyl-N-p-chlorophenylnitronec-phenyl-N-(4-chlorophenyl) nitroneSMR001574617
Database identifiers
- PubChem CID
- 275545
- ChEMBL
CHEMBL1701411
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 28.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 240
Related reactions
2 records
Compound notes
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