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4-Nitrophenyl salicylate

CAS No.:
17374-48-0
Catalog Number:
AG001Z5P
Molecular Formula:
C13H9NO5
Molecular Weight:
259.2143
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
>98.0%(T)
1 week
United States
$306
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Product Description
Catalog Number:
AG001Z5P
Chemical Name:
4-Nitrophenyl salicylate
CAS Number:
17374-48-0
Molecular Formula:
C13H9NO5
Molecular Weight:
259.2143
MDL Number:
MFCD00059835
IUPAC Name:
(4-nitrophenyl) 2-hydroxybenzoate
InChI:
InChI=1S/C13H9NO5/c15-12-4-2-1-3-11(12)13(16)19-10-7-5-9(6-8-10)14(17)18/h1-8,15H
InChI Key:
XSTIAAYONYIWGB-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1O)Oc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
332  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.048g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
259.217g/mol
Monoisotopic Mass:
259.048g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Literature
Title Journal
Kinetic and theoretical studies on alkaline ethanolysis of 4-nitrophenyl salicylate: effect of alkali metal ions on reactivity and mechanism. Chemistry (Weinheim an der Bergstrasse, Germany) 20110301
Properties