Home Sulfos 2-(Benzylsulfonyl)benzoic acid

2-(Benzylsulfonyl)benzoic acid

CAS No.:
13536-21-5
Catalog Number:
AG006Z0W
Molecular Formula:
C14H12O4S
Molecular Weight:
276.3077
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
- +
5g
95%
In Stock USA
United States
$216
- +
Product Description
Catalog Number:
AG006Z0W
Chemical Name:
2-(Benzylsulfonyl)benzoic acid
CAS Number:
13536-21-5
Molecular Formula:
C14H12O4S
Molecular Weight:
276.3077
MDL Number:
MFCD02625844
IUPAC Name:
2-benzylsulfonylbenzoic acid
InChI:
InChI=1S/C14H12O4S/c15-14(16)12-8-4-5-9-13(12)19(17,18)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,15,16)
InChI Key:
GMVRFXQEJYYRMJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1S(=O)(=O)Cc1ccccc1
Properties
Complexity:
404  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.046g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
276.306g/mol
Monoisotopic Mass:
276.046g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties