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3,3-dichloro-1-(4-nitrophenyl)piperidin-2-one

3,3-dichloro-1-(4-nitrophenyl)piperidin-2-one

CAS: 881386-01-2

Formula: C11H10Cl2N2O3

SMILES: [O-][N+](=O)C1=CC=C(C=C1)N1CCCC(Cl)(Cl)C1=O

IUPAC: 3,3-dichloro-1-(4-nitrophenyl)piperidin-2-one

InChI: InChI=1S/C11H10Cl2N2O3/c12-11(13)6-1-7-14(10(11)16)8-2-4-9(5-3-8)15(17)18/h2-5H,1,6-7H2

Composition: C (45.70%), H (3.49%), Cl (24.52%), N (9.69%), O (16.60%)

Molar Mass: 289.11

Atom Count: 28

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 288.0068476
Formal Charge 0
FSP3 0.36
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey KKVYXBZVPRSWHE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.07
Topological Polar Surface Area 63.45
Polarizability 25.72
Ring Count 2
Rotatable Bond Count 2

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Purity LeadTime CAS UnitPrice
98% <10 Days 881386-01-2 Quote Only
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97% <5 Days 881386-01-2 $22.70-$248.42$22.70$76.92$248.42
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