Basic information
- CAS
893735-41-6- Standard SMILES
O=Cc1cc(-c2cccc(Cl)c2)ccc1OCc1ccccc1- InChIKey
XHEJMCLLJDKGEA-UHFFFAOYSA-N- Molecular formula
- C20H15ClO2
- Average molar mass
- 322.8 g/mol
- Monoisotopic mass
- 322.0760574
Names & identifiers
- Preferred name
- 4-(Benzyloxy)-3'-chloro[1,1'-biphenyl]-3-carbaldehyde
- IUPAC
- 5-(3-chlorophenyl)-2-phenylmethoxybenzaldehyde
- English name
- 4-(BENZYLOXY)-3'-CHLORO[1,1'-BIPHENYL]-3-CARBALDEHYDE
- Molecular formula
- C20H15ClO2
- Molecular weight
- 322.79
Names & synonyms
4-(Benzyloxy)-3'-chloro[1,1'-biphenyl]-3-carbaldehyde893735-41-6AKOS004116195A1-982744-(Benzyloxy)-3'-chloro-[1,1'-biphenyl]-3-carbaldehydeAKOS BAR-0962[1,1′-Biphenyl]-3-carboxaldehyde, 3′-chloro-4-(phenylmethoxy)-
Database identifiers
- CAS
893735-41-6- PubChem CID
- 20099876
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 367
Physicochemical properties
- Boiling point
- 501.206 · 501.206±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.227 · 1.227±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Chemistry & industry
Suppliers2 total
CHIMMED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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