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2060058-33-3 | 3-[1-(4-iodophenyl)-2-oxopiperidin-3-yl]-2-methyl-3-oxopropanenitrile
CAS No: 2060058-33-3 Catalog No: AG01BZ0N MDL No:MFCD30487640
Product Description
Catalog Number:
AG01BZ0N
Chemical Name:
3-[1-(4-iodophenyl)-2-oxopiperidin-3-yl]-2-methyl-3-oxopropanenitrile
CAS Number:
2060058-33-3
Molecular Formula:
C15H15IN2O2
Molecular Weight:
382.1963
MDL Number:
MFCD30487640
IUPAC Name:
3-[1-(4-iodophenyl)-2-oxopiperidin-3-yl]-2-methyl-3-oxopropanenitrile
InChI:
InChI=1S/C15H15IN2O2/c1-10(9-17)14(19)13-3-2-8-18(15(13)20)12-6-4-11(16)5-7-12/h4-7,10,13H,2-3,8H2,1H3
InChI Key:
WWFKBVARXSTXIO-UHFFFAOYSA-N
SMILES:
N#CC(C(=O)C1CCCN(C1=O)c1ccc(cc1)I)C
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.018g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
382.201g/mol
Monoisotopic Mass:
382.018g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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