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1260763-19-6 | 2-Piperidinone, 3-[(4-chlorophenyl)methyl]-
CAS No: 1260763-19-6 Catalog No: AG000R67 MDL No:MFCD11848670
Product Description
Catalog Number:
AG000R67
Chemical Name:
2-Piperidinone, 3-[(4-chlorophenyl)methyl]-
CAS Number:
1260763-19-6
Molecular Formula:
C12H14ClNO
Molecular Weight:
223.6987
MDL Number:
MFCD11848670
IUPAC Name:
3-[(4-chlorophenyl)methyl]piperidin-2-one
InChI:
InChI=1S/C12H14ClNO/c13-11-5-3-9(4-6-11)8-10-2-1-7-14-12(10)15/h3-6,10H,1-2,7-8H2,(H,14,15)
InChI Key:
QVDRQHFCYJKQPG-UHFFFAOYSA-N
SMILES:
O=C1NCCCC1Cc1ccc(cc1)Cl
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.076g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.7g/mol
Monoisotopic Mass:
223.076g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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