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Home > Indoles and Oxindole > 882562-69-8
882562-69-8 | 3-IODO-1-(PHENYLSULFONYL)-1H-INDOLE-7-CARBONITRILE
CAS No: 882562-69-8 Catalog No: AG004AVX MDL No:
Product Description
Catalog Number:
AG004AVX
Chemical Name:
3-IODO-1-(PHENYLSULFONYL)-1H-INDOLE-7-CARBONITRILE
CAS Number:
882562-69-8
Molecular Formula:
C15H9IN2O2S
Molecular Weight:
408.2136
IUPAC Name:
1-(benzenesulfonyl)-3-iodoindole-7-carbonitrile
InChI:
InChI=1S/C15H9IN2O2S/c16-14-10-18(15-11(9-17)5-4-8-13(14)15)21(19,20)12-6-2-1-3-7-12/h1-8,10H
InChI Key:
BAHOTPWPNJYXBF-UHFFFAOYSA-N
SMILES:
N#Cc1cccc2c1n(cc2I)S(=O)(=O)c1ccccc1
Properties
Complexity:
530
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
407.943g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
408.213g/mol
Monoisotopic Mass:
407.943g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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