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178804-06-3 | Benzenamine, 4-(2-benzothiazolyl)-2-bromo-
CAS No: 178804-06-3 Catalog No: AG0026BQ MDL No:MFCD00950806
Product Description
Catalog Number:
AG0026BQ
Chemical Name:
Benzenamine, 4-(2-benzothiazolyl)-2-bromo-
CAS Number:
178804-06-3
Molecular Formula:
C13H9BrN2S
Molecular Weight:
305.1930
MDL Number:
MFCD00950806
IUPAC Name:
4-(1,3-benzothiazol-2-yl)-2-bromoaniline
InChI:
InChI=1S/C13H9BrN2S/c14-9-7-8(5-6-10(9)15)13-16-11-3-1-2-4-12(11)17-13/h1-7H,15H2
InChI Key:
PZNQWLHSPUPLEL-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1Br)c1nc2c(s1)cccc2
NSC Number:
682301
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.967g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
305.193g/mol
Monoisotopic Mass:
303.967g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
Literature
| Title | Journal |
|---|---|
| Antitumour benzothiazoles. Part 15: The synthesis and physico-chemical properties of 2-(4-aminophenyl)benzothiazole sulfamate salt derivatives. | Bioorganic & medicinal chemistry letters 20010423 |
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