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Home > Indoles and Oxindole > 182187-39-9
182187-39-9 | 1H-Indole-5-methanol, 1-(phenylsulfonyl)-
CAS No: 182187-39-9 Catalog No: AG0023GL MDL No:
Product Description
Catalog Number:
AG0023GL
Chemical Name:
1H-Indole-5-methanol, 1-(phenylsulfonyl)-
CAS Number:
182187-39-9
Molecular Formula:
C15H13NO3S
Molecular Weight:
287.3336
IUPAC Name:
[1-(benzenesulfonyl)indol-5-yl]methanol
InChI:
InChI=1S/C15H13NO3S/c17-11-12-6-7-15-13(10-12)8-9-16(15)20(18,19)14-4-2-1-3-5-14/h1-10,17H,11H2
InChI Key:
GGRJZYLQIVBRJI-UHFFFAOYSA-N
SMILES:
OCc1ccc2c(c1)ccn2S(=O)(=O)c1ccccc1
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.062g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.333g/mol
Monoisotopic Mass:
287.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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