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Home > Indoles and Oxindole > 88131-67-3
88131-67-3 | 1H-Indole, 4-methoxy-1-(methylsulfonyl)-
CAS No: 88131-67-3 Catalog No: AG004HT4 MDL No:
Product Description
Catalog Number:
AG004HT4
Chemical Name:
1H-Indole, 4-methoxy-1-(methylsulfonyl)-
CAS Number:
88131-67-3
Molecular Formula:
C10H11NO3S
Molecular Weight:
225.2642
IUPAC Name:
4-methoxy-1-methylsulfonylindole
InChI:
InChI=1S/C10H11NO3S/c1-14-10-5-3-4-9-8(10)6-7-11(9)15(2,12)13/h3-7H,1-2H3
InChI Key:
XSADGTZEFMKWAF-UHFFFAOYSA-N
SMILES:
COc1cccc2c1ccn2S(=O)(=O)C
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.046g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.262g/mol
Monoisotopic Mass:
225.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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