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2060036-06-6 | 1-(2-iodophenyl)-3-propanoylpiperidin-2-one
CAS No: 2060036-06-6 Catalog No: AG01BZ0B MDL No:MFCD30487628
Product Description
Catalog Number:
AG01BZ0B
Chemical Name:
1-(2-iodophenyl)-3-propanoylpiperidin-2-one
CAS Number:
2060036-06-6
Molecular Formula:
C14H16INO2
Molecular Weight:
357.1868
MDL Number:
MFCD30487628
IUPAC Name:
1-(2-iodophenyl)-3-propanoylpiperidin-2-one
InChI:
InChI=1S/C14H16INO2/c1-2-13(17)10-6-5-9-16(14(10)18)12-8-4-3-7-11(12)15/h3-4,7-8,10H,2,5-6,9H2,1H3
InChI Key:
QPQLSIVDDHAVIT-UHFFFAOYSA-N
SMILES:
CCC(=O)C1CCCN(C1=O)c1ccccc1I
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.023g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
357.191g/mol
Monoisotopic Mass:
357.023g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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