Basic information
- CAS
83217-22-5- Standard SMILES
O=Cc1ccc(-c2nc(Cl)cc(Cl)n2)cc1- InChIKey
BQWMDETVFDISGJ-UHFFFAOYSA-N- Molecular formula
- C11H6Cl2N2O
- Average molar mass
- 253.08 g/mol
- Monoisotopic mass
- 251.9857182
Names & identifiers
- Preferred name
- 4-(4,6-Dichloropyrimidin-2-yl)benzaldehyde
- IUPAC
- 4-(4,6-dichloropyrimidin-2-yl)benzaldehyde
Names & synonyms
4-(4,6-Dichloropyrimidin-2-yl)benzaldehyde83217-22-5SCHEMBL10499250DTXSID60603233
Database identifiers
- CAS
83217-22-5- PubChem CID
- 20165531
- DTXSID
DTXSID60603233
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 42.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 234
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…