Home Carboxys 5-Bromobenzo[d]isothiazole-3-carboxylic acid

5-Bromobenzo[d]isothiazole-3-carboxylic acid

CAS No.:
677304-78-8
Catalog Number:
AG0063ND
Molecular Formula:
C8H4BrNO2S
Molecular Weight:
258.0919
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
97%
1 week
United States
$91
- +
250mg
97%
1 week
United States
$145
- +
Product Description
Catalog Number:
AG0063ND
Chemical Name:
5-Bromobenzo[d]isothiazole-3-carboxylic acid
CAS Number:
677304-78-8
Molecular Formula:
C8H4BrNO2S
Molecular Weight:
258.0919
MDL Number:
MFCD08706004
IUPAC Name:
5-bromo-1,2-benzothiazole-3-carboxylic acid
InChI:
InChI=1S/C8H4BrNO2S/c9-4-1-2-6-5(3-4)7(8(11)12)10-13-6/h1-3H,(H,11,12)
InChI Key:
LJSFFGFRQGXQEE-UHFFFAOYSA-N
SMILES:
OC(=O)c1nsc2c1cc(Br)cc2
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:
2.9  
Properties