3-(6-Chloro-4-pyrimidinyl)-4-fluorobenzaldehyde
Basic information
- CAS
954222-85-6- Standard SMILES
O=Cc1ccc(F)c(-c2cc(Cl)ncn2)c1- InChIKey
WDLCMPYQQVVDOD-UHFFFAOYSA-N- Molecular formula
- C11H6ClFN2O
- Average molar mass
- 236.63 g/mol
- Monoisotopic mass
- 236.0152687
Names & identifiers
- Preferred name
- 3-(6-Chloro-4-pyrimidinyl)-4-fluorobenzaldehyde
- IUPAC
- 3-(6-chloropyrimidin-4-yl)-4-fluorobenzaldehyde
Names & synonyms
DTXSID301244579954222-85-63-(6-chloropyrimidin-4-yl)-4-fluorobenzaldehyde3-(6-Chloro-4-pyrimidinyl)-4-fluorobenzaldehyde
Database identifiers
- CAS
954222-85-6- PubChem CID
- 24902161
- DTXSID
DTXSID301244579
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 42.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 254
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Compound notes
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