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19654-19-4 | 2-(4-Bromophenyl)benzo[d]thiazole
CAS No: 19654-19-4 Catalog No: AG003CTD MDL No:MFCD00579199
Product Description
Catalog Number:
AG003CTD
Chemical Name:
2-(4-Bromophenyl)benzo[d]thiazole
CAS Number:
19654-19-4
Molecular Formula:
C13H8BrNS
Molecular Weight:
290.1783
MDL Number:
MFCD00579199
IUPAC Name:
2-(4-bromophenyl)-1,3-benzothiazole
InChI:
InChI=1S/C13H8BrNS/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h1-8H
InChI Key:
FQIRBKKYMJKENC-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)c1nc2c(s1)cccc2
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.956g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.178g/mol
Monoisotopic Mass:
288.956g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
Literature
| Title | Journal |
|---|---|
| Synthesis of novel inhibitors of β-glucuronidase based on benzothiazole skeleton and study of their binding affinity by molecular docking. | Bioorganic & medicinal chemistry 20110715 |
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