sales@angenesci.com
Login | Register
logo
Structures Search
Home Carboxys 3-Chloro-6-fluoro-1-benzothiophene-2-carboxylic acid

3-Chloro-6-fluoro-1-benzothiophene-2-carboxylic acid

CAS No.:
34576-92-6
Catalog Number:
AG003J9Y
Molecular Formula:
C9H4ClFO2S
Molecular Weight:
230.6433
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$50
- +
5g
96%
In Stock USA
United States
$194
- +
10g
96%
In Stock USA
United States
$350
- +
25g
96%
In Stock USA
United States
$800
- +
Product Description
Catalog Number:
AG003J9Y
Chemical Name:
3-Chloro-6-fluoro-1-benzothiophene-2-carboxylic acid
CAS Number:
34576-92-6
Molecular Formula:
C9H4ClFO2S
Molecular Weight:
230.6433
MDL Number:
MFCD00228531
IUPAC Name:
3-chloro-6-fluoro-1-benzothiophene-2-carboxylic acid
InChI:
InChI=1S/C9H4ClFO2S/c10-7-5-2-1-4(11)3-6(5)14-8(7)9(12)13/h1-3H,(H,12,13)
InChI Key:
HSRSWUJIPYUCSE-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)sc(c2Cl)C(=O)O
Properties
Complexity:
251  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.96g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
230.637g/mol
Monoisotopic Mass:
229.96g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties