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Home > Indoles and Oxindole > 71516-38-6
71516-38-6 | 1H-Indole-4-methanol, 1-[(4-methylphenyl)sulfonyl]-
CAS No: 71516-38-6 Catalog No: AG005T2B MDL No:
Product Description
Catalog Number:
AG005T2B
Chemical Name:
1H-Indole-4-methanol, 1-[(4-methylphenyl)sulfonyl]-
CAS Number:
71516-38-6
Molecular Formula:
C16H15NO3S
Molecular Weight:
301.3602
IUPAC Name:
[1-(4-methylphenyl)sulfonylindol-4-yl]methanol
InChI:
InChI=1S/C16H15NO3S/c1-12-5-7-14(8-6-12)21(19,20)17-10-9-15-13(11-18)3-2-4-16(15)17/h2-10,18H,11H2,1H3
InChI Key:
RSTLWAHATMQENR-UHFFFAOYSA-N
SMILES:
OCc1cccc2c1ccn2S(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
451
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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