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Home Carboxys 3-Chlorobenzo[b]thiophene-2-carboxylic acid

3-Chlorobenzo[b]thiophene-2-carboxylic acid

CAS No.:
21211-22-3
Catalog Number:
AG003JAG
Molecular Formula:
C9H5ClO2S
Molecular Weight:
212.6528
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$19
- +
5g
98%
In Stock USA
United States
$69
- +
10g
98%
In Stock USA
United States
$119
- +
25g
98%
In Stock USA
United States
$238
- +
Product Description
Catalog Number:
AG003JAG
Chemical Name:
3-Chlorobenzo[b]thiophene-2-carboxylic acid
CAS Number:
21211-22-3
Molecular Formula:
C9H5ClO2S
Molecular Weight:
212.6528
MDL Number:
MFCD00014579
IUPAC Name:
3-chloro-1-benzothiophene-2-carboxylic acid
InChI:
InChI=1S/C9H5ClO2S/c10-7-5-3-1-2-4-6(5)13-8(7)9(11)12/h1-4H,(H,11,12)
InChI Key:
HJTMIYKPPPYDRJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1sc2c(c1Cl)cccc2
NSC Number:
206632
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.97g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
212.647g/mol
Monoisotopic Mass:
211.97g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Literature
Title Journal
Potent agonists of the Hedgehog signaling pathway. Bioorganic & medicinal chemistry letters 20090801
Properties