Basic information
- Standard SMILES
O=Cc1cc2c(cc1-c1ccc(Cl)cc1)OCO2- InChIKey
PYTRWIFHPUESBQ-UHFFFAOYSA-N- Molecular formula
- C14H9ClO3
- Average molar mass
- 260.67 g/mol
- Monoisotopic mass
- 260.0240218
Names & identifiers
- Preferred name
- 6-(4-Chlorophenyl)benzo[d][1,3]dioxole-5-carbaldehyde
- IUPAC
- 6-(4-chlorophenyl)-1,3-benzodioxole-5-carbaldehyde
Names & synonyms
6-(4-chlorophenyl)benzo[d][1,3]dioxole-5-carbaldehydeSCHEMBL1960131PYTRWIFHPUESBQ-UHFFFAOYSA-NDB-2132026-(4-Chlorophenyl)-1,3-benzodioxole-5-carboxaldehydeA1-1052561228945-56-9
Database identifiers
- PubChem CID
- 86642873
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 301
Related reactions
5 records
Compound notes
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