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1-[(3,4-dichlorophenyl)methyl]piperidin-4-one

1-[(3,4-dichlorophenyl)methyl]piperidin-4-one

CAS: 220772-52-1

Formula: C12H13Cl2NO

SMILES: ClC1=CC=C(CN2CCC(=O)CC2)C=C1Cl

IUPAC: 1-[(3,4-dichlorophenyl)methyl]piperidin-4-one

InChI: InChI=1S/C12H13Cl2NO/c13-11-2-1-9(7-12(11)14)8-15-5-3-10(16)4-6-15/h1-2,7H,3-6,8H2

Composition: C (55.83%), H (5.08%), Cl (27.47%), N (5.43%), O (6.20%)

Molar Mass: 258.14

Atom Count: 29

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 257.0374194
Formal Charge 0
FSP3 0.42
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey LOOMBOWXPYTHIA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.69
Topological Polar Surface Area 20.31
Polarizability 26.02
Ring Count 2
Rotatable Bond Count 2

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90% <2 Days 220772-52-1 $51.35-$86.31$51.35$63.37$86.31
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