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Home > Indoles and Oxindole > 91870-63-2
91870-63-2 | 1H-Isoindole-1,3(2H)-dione, 2-(5-iodohexyl)-
CAS No: 91870-63-2 Catalog No: AG006NUO MDL No:
Product Description
Catalog Number:
AG006NUO
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-(5-iodohexyl)-
CAS Number:
91870-63-2
Molecular Formula:
C14H16INO2
Molecular Weight:
357.1868
IUPAC Name:
2-(5-iodohexyl)isoindole-1,3-dione
InChI:
InChI=1S/C14H16INO2/c1-10(15)6-4-5-9-16-13(17)11-7-2-3-8-12(11)14(16)18/h2-3,7-8,10H,4-6,9H2,1H3
InChI Key:
RRYUKFORSTZZMX-UHFFFAOYSA-N
SMILES:
CC(CCCCN1C(=O)c2c(C1=O)cccc2)I
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.023g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
357.191g/mol
Monoisotopic Mass:
357.023g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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