Home Halogens 6-Bromo-2-chlorobenzothiazole

6-Bromo-2-chlorobenzothiazole

CAS No.:
80945-86-4
Catalog Number:
AG003N3Q
Molecular Formula:
C7H3BrClNS
Molecular Weight:
248.5274
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$13
- +
5g
97%
In Stock USA
United States
$38
- +
25g
97%
In Stock USA
United States
$107
- +
100g
97%
In Stock USA
United States
$307
- +
Product Description
Catalog Number:
AG003N3Q
Chemical Name:
6-Bromo-2-chlorobenzothiazole
CAS Number:
80945-86-4
Molecular Formula:
C7H3BrClNS
Molecular Weight:
248.5274
MDL Number:
MFCD04971822
IUPAC Name:
6-bromo-2-chloro-1,3-benzothiazole
InChI:
InChI=1S/C7H3BrClNS/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H
InChI Key:
IJQSMNIZBBEBKI-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)sc(n2)Cl
Properties
Complexity:
157  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.886g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.522g/mol
Monoisotopic Mass:
246.886g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties