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Compound
1-(2-Chloro-4-fluorophenyl)piperidin-4-one
HCID
29080291
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Basic information
Standard SMILES
O=C1CCN(c2ccc(F)cc2Cl)CC1
InChIKey
GIJRGVPRZGRWPK-UHFFFAOYSA-N
Molecular formula
C11H11ClFNO
Average molar mass
227.66 g/mol
Names & identifiers
Preferred name
1-(2-Chloro-4-fluorophenyl)piperidin-4-one
IUPAC
1-(2-chloro-4-fluorophenyl)piperidin-4-one
Database identifiers
PubChem CID
29080291
Properties
Computed structural properties
XLogP
2.2
Topological polar surface area
20.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
15
Formal charge
0
Complexity
239
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Related reactions
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HRID
683
As product
750 AstraZeneca ELN dataset
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