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Home > Indoles and Oxindole > 70390-93-1
70390-93-1 | 1H-Indole, 1-(methylsulfonyl)-
CAS No: 70390-93-1 Catalog No: AG005JJ6 MDL No:
Product Description
Catalog Number:
AG005JJ6
Chemical Name:
1H-Indole, 1-(methylsulfonyl)-
CAS Number:
70390-93-1
Molecular Formula:
C9H9NO2S
Molecular Weight:
195.2383
IUPAC Name:
1-methylsulfonylindole
InChI:
InChI=1S/C9H9NO2S/c1-13(11,12)10-7-6-8-4-2-3-5-9(8)10/h2-7H,1H3
InChI Key:
WBXVUMOSSJDPAN-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)n1ccc2c1cccc2
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.035g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.236g/mol
Monoisotopic Mass:
195.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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