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Home > Indoles and Oxindole > 80360-24-3
80360-24-3 | 1-[1-(PHENYLSULFONYL)INDOLE-2-YL]ETHANOL
CAS No: 80360-24-3 Catalog No: AG0053N6 MDL No:
Product Description
Catalog Number:
AG0053N6
Chemical Name:
1-[1-(PHENYLSULFONYL)INDOLE-2-YL]ETHANOL
CAS Number:
80360-24-3
Molecular Formula:
C16H15NO3S
Molecular Weight:
301.3602
IUPAC Name:
1-[1-(benzenesulfonyl)indol-2-yl]ethanol
InChI:
InChI=1S/C16H15NO3S/c1-12(18)16-11-13-7-5-6-10-15(13)17(16)21(19,20)14-8-3-2-4-9-14/h2-12,18H,1H3
InChI Key:
XQILEIGQLCNNHX-UHFFFAOYSA-N
SMILES:
CC(c1cc2c(n1S(=O)(=O)c1ccccc1)cccc2)O
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.077g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
301.36g/mol
Monoisotopic Mass:
301.077g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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