Home Halogens 3,4-Dichloro-1-benzothiophene-2-carboxylic acid

3,4-Dichloro-1-benzothiophene-2-carboxylic acid

CAS No.:
34576-95-9
Catalog Number:
AG00I6TX
Molecular Formula:
C9H4Cl2O2S
Molecular Weight:
247.0979
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$371
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Product Description
Catalog Number:
AG00I6TX
Chemical Name:
3,4-Dichloro-1-benzothiophene-2-carboxylic acid
CAS Number:
34576-95-9
Molecular Formula:
C9H4Cl2O2S
Molecular Weight:
247.0979
MDL Number:
MFCD00617272
IUPAC Name:
3,4-dichloro-1-benzothiophene-2-carboxylic acid
InChI:
InChI=1S/C9H4Cl2O2S/c10-4-2-1-3-5-6(4)7(11)8(14-5)9(12)13/h1-3H,(H,12,13)
InChI Key:
OIWHDKKVGXWDEW-UHFFFAOYSA-N
SMILES:
OC(=O)c1sc2c(c1Cl)c(Cl)ccc2
Properties
Complexity:
249  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.931g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
247.089g/mol
Monoisotopic Mass:
245.931g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
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