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Home > Indoles and Oxindole > 80360-21-0
80360-21-0 | 1H-Indole, 2-methyl-1-(phenylsulfonyl)-
CAS No: 80360-21-0 Catalog No: AG005BH7 MDL No:
Product Description
Catalog Number:
AG005BH7
Chemical Name:
1H-Indole, 2-methyl-1-(phenylsulfonyl)-
CAS Number:
80360-21-0
Molecular Formula:
C15H13NO2S
Molecular Weight:
271.3342
IUPAC Name:
1-(benzenesulfonyl)-2-methylindole
InChI:
InChI=1S/C15H13NO2S/c1-12-11-13-7-5-6-10-15(13)16(12)19(17,18)14-8-3-2-4-9-14/h2-11H,1H3
InChI Key:
URRIVCFHQGNMOQ-UHFFFAOYSA-N
SMILES:
Cc1cc2c(n1S(=O)(=O)c1ccccc1)cccc2
NSC Number:
631620
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.067g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.334g/mol
Monoisotopic Mass:
271.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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