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2059966-67-3 | 3-[1-(3-iodo-4-methylphenyl)-2-oxopiperidin-3-yl]-3-oxopropanenitrile
CAS No: 2059966-67-3 Catalog No: AG01BZ1X MDL No:MFCD30487686
Product Description
Catalog Number:
AG01BZ1X
Chemical Name:
3-[1-(3-iodo-4-methylphenyl)-2-oxopiperidin-3-yl]-3-oxopropanenitrile
CAS Number:
2059966-67-3
Molecular Formula:
C15H15IN2O2
Molecular Weight:
382.1963
MDL Number:
MFCD30487686
IUPAC Name:
3-[1-(3-iodo-4-methylphenyl)-2-oxopiperidin-3-yl]-3-oxopropanenitrile
InChI:
InChI=1S/C15H15IN2O2/c1-10-4-5-11(9-13(10)16)18-8-2-3-12(15(18)20)14(19)6-7-17/h4-5,9,12H,2-3,6,8H2,1H3
InChI Key:
YVTKTETWNLKOCV-UHFFFAOYSA-N
SMILES:
N#CCC(=O)C1CCCN(C1=O)c1ccc(c(c1)I)C
Properties
Complexity:
442
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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