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Home Carbonyls 2-(Chlorocarbonyl)phenyl acetate

2-(Chlorocarbonyl)phenyl acetate

CAS No.:
5538-51-2
Catalog Number:
AG003TFK
Molecular Formula:
C9H7ClO3
Molecular Weight:
198.6031
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
>97.0%(T)(HPLC)
1 week
United States
$195
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Product Description
Catalog Number:
AG003TFK
Chemical Name:
2-(Chlorocarbonyl)phenyl acetate
CAS Number:
5538-51-2
Molecular Formula:
C9H7ClO3
Molecular Weight:
198.6031
MDL Number:
MFCD00000663
IUPAC Name:
(2-carbonochloridoylphenyl) acetate
InChI:
InChI=1S/C9H7ClO3/c1-6(11)13-8-5-3-2-4-7(8)9(10)12/h2-5H,1H3
InChI Key:
DSGKWFGEUBCEIE-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1ccccc1C(=O)Cl
EC Number:
226-899-1
NSC Number:
97216
Properties
Complexity:
215  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.008g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.602g/mol
Monoisotopic Mass:
198.008g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
Rational design of a dual-mode optical and chemical prodrug. Pharmaceutical research 20070101
Synthesis and transdermal properties of acetylsalicylic acid and selected esters. International journal of pharmaceutics 20060309
Properties