3-Bromo-7-methyl-1-(p-toluenesulfonyl)indole - CAS 887338-40-1
Catalog: |
BB039163 |
Product Name: |
3-Bromo-7-methyl-1-(p-toluenesulfonyl)indole |
CAS: |
887338-40-1 |
Synonyms: |
3-bromo-7-methyl-1-(4-methylphenyl)sulfonylindole; 3-bromo-7-methyl-1-(4-methylphenyl)sulfonylindole |
IUPAC Name: | 3-bromo-7-methyl-1-(4-methylphenyl)sulfonylindole |
Description: | 3-Bromo-7-methyl-1-(p-toluenesulfonyl)indole (CAS# 887338-40-1 ) is a useful research chemical. |
Molecular Weight: | 364.26 |
Molecular Formula: | C16H14BrNO2S |
Canonical SMILES: | CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C(=CC=C3)C)Br |
InChI: | InChI=1S/C16H14BrNO2S/c1-11-6-8-13(9-7-11)21(19,20)18-10-15(17)14-5-3-4-12(2)16(14)18/h3-10H,1-2H3 |
InChI Key: | DVIYUHTVTCSRJG-UHFFFAOYSA-N |
LogP: | 5.33840 |
Publication Number | Title | Priority Date |
US-2009074738-A1 | 1-substituted-3-beta-d-glucopyranosylated nitrogenous hetero-cyclic compounds and medicines containing the same | 20041118 |
US-7750145-B2 | 1-substituted-3-β-D-glucopyranosylated nitrogenous hetero-cyclic compounds and medicines containing the same | 20041118 |
Complexity: | 467 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 362.99286 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 362.99286 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 47.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.6 |
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