sales@angenesci.com
Login | Register
logo
Structures Search
Home Halogens 3,4,5-Trichlorothiophene-2-carboxylic acid

3,4,5-Trichlorothiophene-2-carboxylic acid

CAS No.:
26020-48-4
Catalog Number:
AG003IEH
Molecular Formula:
C5HCl3O2S
Molecular Weight:
231.4842
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG003IEH
Chemical Name:
3,4,5-Trichlorothiophene-2-carboxylic acid
CAS Number:
26020-48-4
Molecular Formula:
C5HCl3O2S
Molecular Weight:
231.4842
MDL Number:
MFCD00092429
IUPAC Name:
3,4,5-trichlorothiophene-2-carboxylic acid
InChI:
InChI=1S/C5HCl3O2S/c6-1-2(7)4(8)11-3(1)5(9)10/h(H,9,10)
InChI Key:
FVFYTPFJDMYLJS-UHFFFAOYSA-N
SMILES:
OC(=O)c1sc(c(c1Cl)Cl)Cl
Properties
Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.876g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
231.471g/mol
Monoisotopic Mass:
229.876g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Literature
Title Journal
Development of potential manufacturing routes for substituted thiophenes--preparation of halogenated 2-thiophenecarboxylic acid derivatives as building blocks for a new family of 2,6-dihaloaryl 1,2,4-triazole insecticides. Beilstein journal of organic chemistry 20070101
Properties