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Home Sulfos 3-(4-Chloro-benzenesulfonyl)-propionic acid

3-(4-Chloro-benzenesulfonyl)-propionic acid

CAS No.:
90396-00-2
Catalog Number:
AG006QMS
Molecular Formula:
C9H9ClO4S
Molecular Weight:
248.6834
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$125
- +
1g
98%
In Stock USA
United States
$313
- +
5g
98%
In Stock USA
United States
$938
- +
Product Description
Catalog Number:
AG006QMS
Chemical Name:
3-(4-Chloro-benzenesulfonyl)-propionic acid
CAS Number:
90396-00-2
Molecular Formula:
C9H9ClO4S
Molecular Weight:
248.6834
MDL Number:
MFCD00278360
IUPAC Name:
3-(4-chlorophenyl)sulfonylpropanoic acid
InChI:
InChI=1S/C9H9ClO4S/c10-7-1-3-8(4-2-7)15(13,14)6-5-9(11)12/h1-4H,5-6H2,(H,11,12)
InChI Key:
ZEYRBFCQZXZIQU-UHFFFAOYSA-N
SMILES:
OC(=O)CCS(=O)(=O)c1ccc(cc1)Cl
Properties
Complexity:
312  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.991g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
248.677g/mol
Monoisotopic Mass:
247.991g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties