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Home > Indoles and Oxindole > 107081-91-4
107081-91-4 | 1H-Indole, 2-[(phenylsulfonyl)methyl]-
CAS No: 107081-91-4 Catalog No: AG0082Q4 MDL No:
Product Description
Catalog Number:
AG0082Q4
Chemical Name:
1H-Indole, 2-[(phenylsulfonyl)methyl]-
CAS Number:
107081-91-4
Molecular Formula:
C15H13NO2S
Molecular Weight:
271.3342
IUPAC Name:
2-(benzenesulfonylmethyl)-1H-indole
InChI:
InChI=1S/C15H13NO2S/c17-19(18,14-7-2-1-3-8-14)11-13-10-12-6-4-5-9-15(12)16-13/h1-10,16H,11H2
InChI Key:
CTADAZUGTLWMSQ-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1ccccc1)Cc1cc2c([nH]1)cccc2
Properties
Complexity:
395
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:
1
Isotope Atom Count:
0
Molecular Weight:
271.334g/mol
Monoisotopic Mass:
271.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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