Basic information
- CAS
57422-10-3- Standard SMILES
O=Cc1ccc(Oc2ccc3ccncc3c2)cc1- InChIKey
ZHBCGECNXWJJLX-UHFFFAOYSA-N- Molecular formula
- C16H11NO2
- Average molar mass
- 249.26 g/mol
- Monoisotopic mass
- 249.07897859
Names & identifiers
- Preferred name
- 4-(Isoquinolin-7-yloxy)benzaldehyde
- IUPAC
- 4-isoquinolin-7-yloxybenzaldehyde
Names & synonyms
4-(isoquinolin-7-yloxy)benzaldehyde57422-10-34-isoquinolin-7-yloxybenzaldehydeNSC159925DTXSID103036754-[(Isoquinolin-7-yl)oxy]benzaldehydeNSC-159925DS-005419
Database identifiers
- CAS
57422-10-3- PubChem CID
- 293371
- DTXSID
DTXSID10303675
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 299
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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