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3-(4-bromophenyl)piperidin-2-one

3-(4-bromophenyl)piperidin-2-one

CAS: 769944-71-0

Formula: C11H12BrNO

SMILES: BrC1=CC=C(C=C1)C1CCCNC1=O

IUPAC: 3-(4-bromophenyl)piperidin-2-one

InChI: InChI=1/C11H12BrNO/c12-9-5-3-8(4-6-9)10-2-1-7-13-11(10)14/h3-6,10H,1-2,7H2,(H,13,14)

Composition: C (51.99%), H (4.76%), Br (31.44%), N (5.51%), O (6.30%)

Molar Mass: 254.127

Atom Count: 26

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 253.010227
Formal Charge 0
FSP3 0.36
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey VFNRGZUNLYRMOP-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 59.15
Topological Polar Surface Area 29.1
Polarizability 22.79
Ring Count 2
Rotatable Bond Count 1

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