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89327-04-8 | 1H-Indole, 3-[2-chloro-2,2-bis(phenylsulfonyl)ethyl]-
CAS No: 89327-04-8 Catalog No: AG003ZTV MDL No:
Product Description
Catalog Number:
AG003ZTV
Chemical Name:
1H-Indole, 3-[2-chloro-2,2-bis(phenylsulfonyl)ethyl]-
CAS Number:
89327-04-8
Molecular Formula:
C22H18ClNO4S2
Molecular Weight:
459.9656
IUPAC Name:
3-[2,2-bis(benzenesulfonyl)-2-chloroethyl]-1H-indole
InChI:
InChI=1S/C22H18ClNO4S2/c23-22(29(25,26)18-9-3-1-4-10-18,30(27,28)19-11-5-2-6-12-19)15-17-16-24-21-14-8-7-13-20(17)21/h1-14,16,24H,15H2
InChI Key:
DSWGGQJSNHNTFK-UHFFFAOYSA-N
SMILES:
ClC(S(=O)(=O)c1ccccc1)(S(=O)(=O)c1ccccc1)Cc1c[nH]c2c1cccc2
Properties
Complexity:
742
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
459.037g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
459.959g/mol
Monoisotopic Mass:
459.037g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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