Home Halogens 3,6-Dichloro-1-benzothiophene-2-carboxylic acid

3,6-Dichloro-1-benzothiophene-2-carboxylic acid

CAS No.:
34576-94-8
Catalog Number:
AG00CJAV
Molecular Formula:
C9H4Cl2O2S
Molecular Weight:
247.0979
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
In Stock USA
United States
$57
- +
1g
97%
In Stock USA
United States
$137
- +
5g
97%
In Stock USA
United States
$450
- +
10g
97%
In Stock USA
United States
$700
- +
Product Description
Catalog Number:
AG00CJAV
Chemical Name:
3,6-Dichloro-1-benzothiophene-2-carboxylic acid
CAS Number:
34576-94-8
Molecular Formula:
C9H4Cl2O2S
Molecular Weight:
247.0979
MDL Number:
MFCD00781745
IUPAC Name:
3,6-dichloro-1-benzothiophene-2-carboxylic acid
InChI:
InChI=1S/C9H4Cl2O2S/c10-4-1-2-5-6(3-4)14-8(7(5)11)9(12)13/h1-3H,(H,12,13)
InChI Key:
AAHPIJMQJAZYTM-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)sc(c2Cl)C(=O)O
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  
Properties