Home Carboxys 2-Bromo-6-benzothiazolecarboxylic acid

2-Bromo-6-benzothiazolecarboxylic acid

CAS No.:
22514-58-5
Catalog Number:
AG007OE3
Molecular Formula:
C8H4BrNO2S
Molecular Weight:
258.0919
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$75
- +
5g
96%
In Stock USA
United States
$219
- +
10g
96%
In Stock USA
United States
$350
- +
25g
96%
In Stock USA
United States
$707
- +
100g
96%
In Stock USA
United States
$1875
- +
Product Description
Catalog Number:
AG007OE3
Chemical Name:
2-Bromo-6-benzothiazolecarboxylic acid
CAS Number:
22514-58-5
Molecular Formula:
C8H4BrNO2S
Molecular Weight:
258.0919
MDL Number:
MFCD09266217
IUPAC Name:
2-bromo-1,3-benzothiazole-6-carboxylic acid
InChI:
InChI=1S/C8H4BrNO2S/c9-8-10-5-2-1-4(7(11)12)3-6(5)13-8/h1-3H,(H,11,12)
InChI Key:
ICKXPLAJDFRFME-UHFFFAOYSA-N
SMILES:
Brc1nc2c(s1)cc(cc2)C(=O)O
Properties
Complexity:
226  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.915g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
258.089g/mol
Monoisotopic Mass:
256.915g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties