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Home > Indoles and Oxindole > 88207-36-7
88207-36-7 | 1H-Indole, 2-[2-(hydroxymethyl)phenyl]-1-(phenylsulfonyl)-
CAS No: 88207-36-7 Catalog No: AG004C3I MDL No:
Product Description
Catalog Number:
AG004C3I
Chemical Name:
1H-Indole, 2-[2-(hydroxymethyl)phenyl]-1-(phenylsulfonyl)-
CAS Number:
88207-36-7
Molecular Formula:
C21H17NO3S
Molecular Weight:
363.4296
IUPAC Name:
[2-[1-(benzenesulfonyl)indol-2-yl]phenyl]methanol
InChI:
InChI=1S/C21H17NO3S/c23-15-17-9-4-6-12-19(17)21-14-16-8-5-7-13-20(16)22(21)26(24,25)18-10-2-1-3-11-18/h1-14,23H,15H2
InChI Key:
GJBAIIKPMJMORL-UHFFFAOYSA-N
SMILES:
OCc1ccccc1c1cc2c(n1S(=O)(=O)c1ccccc1)cccc2
Properties
Complexity:
566
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.093g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
363.431g/mol
Monoisotopic Mass:
363.093g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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