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2059999-94-7 | 3-[1-(2-iodophenyl)-2-oxopiperidin-3-yl]-2-methyl-3-oxopropanenitrile
CAS No: 2059999-94-7 Catalog No: AG01BZ0E MDL No:MFCD30487631
Product Description
Catalog Number:
AG01BZ0E
Chemical Name:
3-[1-(2-iodophenyl)-2-oxopiperidin-3-yl]-2-methyl-3-oxopropanenitrile
CAS Number:
2059999-94-7
Molecular Formula:
C15H15IN2O2
Molecular Weight:
382.1963
MDL Number:
MFCD30487631
IUPAC Name:
3-[1-(2-iodophenyl)-2-oxopiperidin-3-yl]-2-methyl-3-oxopropanenitrile
InChI:
InChI=1S/C15H15IN2O2/c1-10(9-17)14(19)11-5-4-8-18(15(11)20)13-7-3-2-6-12(13)16/h2-3,6-7,10-11H,4-5,8H2,1H3
InChI Key:
YRSJKQOQADFWQL-UHFFFAOYSA-N
SMILES:
N#CC(C(=O)C1CCCN(C1=O)c1ccccc1I)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:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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