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164261-56-7 | 1H-Indole, 2-(bromomethyl)-3-methyl-1-(phenylsulfonyl)-
CAS No: 164261-56-7 Catalog No: AG001UQV MDL No:
Product Description
Catalog Number:
AG001UQV
Chemical Name:
1H-Indole, 2-(bromomethyl)-3-methyl-1-(phenylsulfonyl)-
CAS Number:
164261-56-7
Molecular Formula:
C16H14BrNO2S
Molecular Weight:
364.2569
IUPAC Name:
1-(benzenesulfonyl)-2-(bromomethyl)-3-methylindole
InChI:
InChI=1S/C16H14BrNO2S/c1-12-14-9-5-6-10-15(14)18(16(12)11-17)21(19,20)13-7-3-2-4-8-13/h2-10H,11H2,1H3
InChI Key:
YJUVWBGSYMXLOI-UHFFFAOYSA-N
SMILES:
BrCc1c(C)c2c(n1S(=O)(=O)c1ccccc1)cccc2
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.993g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
364.257g/mol
Monoisotopic Mass:
362.993g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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