Home Carboxys 2-Chlorobenzo[d]thiazole-5-carboxylic acid

2-Chlorobenzo[d]thiazole-5-carboxylic acid

CAS No.:
1393576-38-9
Catalog Number:
AG001AU4
Molecular Formula:
C8H4ClNO2S
Molecular Weight:
213.6409
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$455
- +
1g
95%
1 week
United States
$1080
- +
Product Description
Catalog Number:
AG001AU4
Chemical Name:
2-Chlorobenzo[d]thiazole-5-carboxylic acid
CAS Number:
1393576-38-9
Molecular Formula:
C8H4ClNO2S
Molecular Weight:
213.6409
MDL Number:
MFCD22548224
IUPAC Name:
2-chloro-1,3-benzothiazole-5-carboxylic acid
InChI:
InChI=1S/C8H4ClNO2S/c9-8-10-5-3-4(7(11)12)1-2-6(5)13-8/h1-3H,(H,11,12)
InChI Key:
USIYKVRPNWXYIR-UHFFFAOYSA-N
SMILES:
Clc1sc2c(n1)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:
212.965g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
213.635g/mol
Monoisotopic Mass:
212.965g/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