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Home Carboxys 5-Chlorobenzofuran-2-carboxylic acid

5-Chlorobenzofuran-2-carboxylic acid

CAS No.:
10242-10-1
Catalog Number:
AG0007FG
Molecular Formula:
C9H5ClO3
Molecular Weight:
196.5872
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$32
- +
5g
96%
In Stock USA
United States
$125
- +
10g
96%
In Stock USA
United States
$225
- +
Product Description
Catalog Number:
AG0007FG
Chemical Name:
5-Chlorobenzofuran-2-carboxylic acid
CAS Number:
10242-10-1
Molecular Formula:
C9H5ClO3
Molecular Weight:
196.5872
MDL Number:
MFCD00060512
IUPAC Name:
5-chloro-1-benzofuran-2-carboxylic acid
InChI:
InChI=1S/C9H5ClO3/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4H,(H,11,12)
InChI Key:
JETRXAHRPACNMA-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)cc(o2)C(=O)O
Properties
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.993g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
196.586g/mol
Monoisotopic Mass:
195.993g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Non-peptidic small-molecule inhibitors of the single-chain hepatitis C virus NS3 protease/NS4A cofactor complex discovered by structure-based NMR screening. Journal of medicinal chemistry 20040506
Properties