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88207-50-5 | 1H-Indole, 3-bromo-2-phenyl-1-(phenylsulfonyl)-
CAS No: 88207-50-5 Catalog No: AG004C3E MDL No:
Product Description
Catalog Number:
AG004C3E
Chemical Name:
1H-Indole, 3-bromo-2-phenyl-1-(phenylsulfonyl)-
CAS Number:
88207-50-5
Molecular Formula:
C20H14BrNO2S
Molecular Weight:
412.2997
IUPAC Name:
1-(benzenesulfonyl)-3-bromo-2-phenylindole
InChI:
InChI=1S/C20H14BrNO2S/c21-19-17-13-7-8-14-18(17)22(20(19)15-9-3-1-4-10-15)25(23,24)16-11-5-2-6-12-16/h1-14H
InChI Key:
UKWCCEVSEAITBI-UHFFFAOYSA-N
SMILES:
Brc1c2ccccc2n(c1c1ccccc1)S(=O)(=O)c1ccccc1
Properties
Complexity:
549
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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