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2059927-77-2 | 1-(3-iodo-4-methylphenyl)-3-(2-methylpropanoyl)piperidin-2-one
CAS No: 2059927-77-2 Catalog No: AG01BZ1Z MDL No:MFCD30487688
Product Description
Catalog Number:
AG01BZ1Z
Chemical Name:
1-(3-iodo-4-methylphenyl)-3-(2-methylpropanoyl)piperidin-2-one
CAS Number:
2059927-77-2
Molecular Formula:
C16H20INO2
Molecular Weight:
385.2400
MDL Number:
MFCD30487688
IUPAC Name:
1-(3-iodo-4-methylphenyl)-3-(2-methylpropanoyl)piperidin-2-one
InChI:
InChI=1S/C16H20INO2/c1-10(2)15(19)13-5-4-8-18(16(13)20)12-7-6-11(3)14(17)9-12/h6-7,9-10,13H,4-5,8H2,1-3H3
InChI Key:
WNZKJMXNRGNQCI-UHFFFAOYSA-N
SMILES:
O=C(C1CCCN(C1=O)c1ccc(c(c1)I)C)C(C)C
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
385.054g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
385.245g/mol
Monoisotopic Mass:
385.054g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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