Home Halogens 4,5-Dichloroisothiazole-3-carboxylic acid

4,5-Dichloroisothiazole-3-carboxylic acid

CAS No.:
131947-13-2
Catalog Number:
AG000ZXY
Molecular Formula:
C4HCl2NO2S
Molecular Weight:
198.0272
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$75
- +
5g
95%
In Stock USA
United States
$186
- +
Product Description
Catalog Number:
AG000ZXY
Chemical Name:
4,5-Dichloroisothiazole-3-carboxylic acid
CAS Number:
131947-13-2
Molecular Formula:
C4HCl2NO2S
Molecular Weight:
198.0272
MDL Number:
MFCD00186468
IUPAC Name:
4,5-dichloro-1,2-thiazole-3-carboxylic acid
InChI:
InChI=1S/C4HCl2NO2S/c5-1-2(4(8)9)7-10-3(1)6/h(H,8,9)
InChI Key:
ZFEHQZVNKOESSZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1nsc(c1Cl)Cl
Properties
Complexity:
156  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.911g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
198.017g/mol
Monoisotopic Mass:
196.911g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties