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88207-46-9 | 1H-Indole, 2-(2-bromophenyl)-1-(phenylsulfonyl)-
CAS No: 88207-46-9 Catalog No: AG004C1P MDL No:
Product Description
Catalog Number:
AG004C1P
Chemical Name:
1H-Indole, 2-(2-bromophenyl)-1-(phenylsulfonyl)-
CAS Number:
88207-46-9
Molecular Formula:
C20H14BrNO2S
Molecular Weight:
412.2997
IUPAC Name:
1-(benzenesulfonyl)-2-(2-bromophenyl)indole
InChI:
InChI=1S/C20H14BrNO2S/c21-18-12-6-5-11-17(18)20-14-15-8-4-7-13-19(15)22(20)25(23,24)16-9-2-1-3-10-16/h1-14H
InChI Key:
QRAHXTPEZXOREH-UHFFFAOYSA-N
SMILES:
Brc1ccccc1c1cc2c(n1S(=O)(=O)c1ccccc1)cccc2
Properties
Complexity:
555
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
410.993g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
412.301g/mol
Monoisotopic Mass:
410.993g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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