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Home > Indoles and Oxindole > 95966-28-2
95966-28-2 | 2-(benzenesulfonyl)-3-(1H-indol-3-yl)prop-2-enenitrile
CAS No: 95966-28-2 Catalog No: AG00ITBE MDL No:MFCD02661971
Product Description
Catalog Number:
AG00ITBE
Chemical Name:
2-(benzenesulfonyl)-3-(1H-indol-3-yl)prop-2-enenitrile
CAS Number:
95966-28-2
Molecular Formula:
C17H12N2O2S
Molecular Weight:
308.3544
MDL Number:
MFCD02661971
IUPAC Name:
2-(benzenesulfonyl)-3-(1H-indol-3-yl)prop-2-enenitrile
InChI:
InChI=1S/C17H12N2O2S/c18-11-15(22(20,21)14-6-2-1-3-7-14)10-13-12-19-17-9-5-4-8-16(13)17/h1-10,12,19H
InChI Key:
VDWDUJJWMCDGHH-UHFFFAOYSA-N
SMILES:
N#CC(=Cc1c[nH]c2c1cccc2)S(=O)(=O)c1ccccc1
Properties
Complexity:
576
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.062g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
308.355g/mol
Monoisotopic Mass:
308.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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