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2060020-89-3 | 3-[1-(4-iodophenyl)-2-oxopiperidin-3-yl]-3-oxopropanenitrile
CAS No: 2060020-89-3 Catalog No: AG01BZ0J MDL No:MFCD30487636
Product Description
Catalog Number:
AG01BZ0J
Chemical Name:
3-[1-(4-iodophenyl)-2-oxopiperidin-3-yl]-3-oxopropanenitrile
CAS Number:
2060020-89-3
Molecular Formula:
C14H13IN2O2
Molecular Weight:
368.1697
MDL Number:
MFCD30487636
IUPAC Name:
3-[1-(4-iodophenyl)-2-oxopiperidin-3-yl]-3-oxopropanenitrile
InChI:
InChI=1S/C14H13IN2O2/c15-10-3-5-11(6-4-10)17-9-1-2-12(14(17)19)13(18)7-8-16/h3-6,12H,1-2,7,9H2
InChI Key:
IENZTTHYYIWNDY-UHFFFAOYSA-N
SMILES:
N#CCC(=O)C1CCCN(C1=O)c1ccc(cc1)I
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.002g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
368.174g/mol
Monoisotopic Mass:
368.002g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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