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14207-25-1 | Benzo[b]thiophene, 6-bromo-2,3,5-trimethyl-
CAS No: 14207-25-1 Catalog No: AG001HPL MDL No:
Product Description
Catalog Number:
AG001HPL
Chemical Name:
Benzo[b]thiophene, 6-bromo-2,3,5-trimethyl-
CAS Number:
14207-25-1
Molecular Formula:
C11H11BrS
Molecular Weight:
255.1740
IUPAC Name:
6-bromo-2,3,5-trimethyl-1-benzothiophene
InChI:
InChI=1S/C11H11BrS/c1-6-4-9-7(2)8(3)13-11(9)5-10(6)12/h4-5H,1-3H3
InChI Key:
WWQLVACPBPTTNJ-UHFFFAOYSA-N
SMILES:
Brc1cc2sc(c(c2cc1C)C)C
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.976g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.173g/mol
Monoisotopic Mass:
253.976g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
Literature
| Title | Journal |
|---|---|
| Screening of antimicrobial activity of diarylamines in the 2,3,5-trimethylbenzo[b]thiophene series: a structure-activity evaluation study. | Bioorganic & medicinal chemistry letters 20041206 |
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