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Home Sulfos P-Toluenesulfonic acid phenyl ester

P-Toluenesulfonic acid phenyl ester

CAS No.:
640-60-8
Catalog Number:
AG003U13
Molecular Formula:
C13H12O3S
Molecular Weight:
248.2976
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
1 week
United States
$80
- +
10g
>99.0%(GC)
1 week
United States
$85
- +
Product Description
Catalog Number:
AG003U13
Chemical Name:
P-Toluenesulfonic acid phenyl ester
CAS Number:
640-60-8
Molecular Formula:
C13H12O3S
Molecular Weight:
248.2976
MDL Number:
MFCD00025996
IUPAC Name:
phenyl 4-methylbenzenesulfonate
InChI:
InChI=1S/C13H12O3S/c1-11-7-9-13(10-8-11)17(14,15)16-12-5-3-2-4-6-12/h2-10H,1H3
InChI Key:
KZQFPRKQBWRRHQ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)Oc1ccccc1
Properties
Complexity:
317  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.051g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.296g/mol
Monoisotopic Mass:
248.051g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
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