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Home Sulfos 4-(Difluoro-methanesulfonyl)-benzoic acid

4-(Difluoro-methanesulfonyl)-benzoic acid

CAS No.:
4837-22-3
Catalog Number:
AG00DIGV
Molecular Formula:
C8H6F2O4S
Molecular Weight:
236.1926
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$200
- +
1g
98%
In Stock USA
United States
$500
- +
5g
98%
In Stock USA
United States
$1500
- +
10g
98%
In Stock USA
United States
$2250
- +
Product Description
Catalog Number:
AG00DIGV
Chemical Name:
4-(Difluoro-methanesulfonyl)-benzoic acid
CAS Number:
4837-22-3
Molecular Formula:
C8H6F2O4S
Molecular Weight:
236.1926
MDL Number:
MFCD00766762
IUPAC Name:
4-(difluoromethylsulfonyl)benzoic acid
InChI:
InChI=1S/C8H6F2O4S/c9-8(10)15(13,14)6-3-1-5(2-4-6)7(11)12/h1-4,8H,(H,11,12)
InChI Key:
BFPZRESURWVHTN-UHFFFAOYSA-N
SMILES:
FC(S(=O)(=O)c1ccc(cc1)C(=O)O)F
Properties
Complexity:
325  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.995g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
236.189g/mol
Monoisotopic Mass:
235.995g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
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