Basic information
- CAS
954221-00-2- Standard SMILES
O=Cc1ccc(-c2cc(Cl)ncn2)cc1- InChIKey
NMSTXFDMHTXRNI-UHFFFAOYSA-N- Molecular formula
- C11H7ClN2O
- Average molar mass
- 218.64 g/mol
- Monoisotopic mass
- 218.0246905
Names & identifiers
- Preferred name
- 4-(6-Chloro-4-pyrimidinyl)benzaldehyde
- IUPAC
- 4-(6-chloropyrimidin-4-yl)benzaldehyde
Names & synonyms
DTXSID7012842444-(6-Chloro-4-pyrimidinyl)benzaldehyde4-(6-chloropyrimidin-4-yl)benzaldehyde954221-00-2
Database identifiers
- CAS
954221-00-2- PubChem CID
- 24902206
- DTXSID
DTXSID701284244
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 42.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 217
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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