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Home Nitros Dimethyl 5-nitroisophthalate

Dimethyl 5-nitroisophthalate

CAS No.:
13290-96-5
Catalog Number:
AG0011CQ
Molecular Formula:
C10H9NO6
Molecular Weight:
239.1816
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%(GC)
In Stock USA
United States
$39
- +
25g
98%(GC)
In Stock USA
United States
$62
- +
100g
98%(GC)
In Stock USA
United States
$129
- +
500g
98%(GC)
In Stock USA
United States
$325
- +
Product Description
Catalog Number:
AG0011CQ
Chemical Name:
Dimethyl 5-nitroisophthalate
CAS Number:
13290-96-5
Molecular Formula:
C10H9NO6
Molecular Weight:
239.1816
MDL Number:
MFCD00008429
IUPAC Name:
dimethyl 5-nitrobenzene-1,3-dicarboxylate
InChI:
InChI=1S/C10H9NO6/c1-16-9(12)6-3-7(10(13)17-2)5-8(4-6)11(14)15/h3-5H,1-2H3
InChI Key:
GGTSJKFPGKFLCZ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)OC
EC Number:
236-307-3
NSC Number:
93786
Properties
Complexity:
299  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.043g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.183g/mol
Monoisotopic Mass:
239.043g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
Dimethyl 5-nitro-isophthalate. Acta crystallographica. Section E, Structure reports online 20080901
Synthesis, characterization, and in vivo skeletal localization of a new (99m)Tc-based multidentate phosphonate chelate: 5-Amino-1,3-bis(ethylamine-(N,N dimethyl diphosphonic acid) acetamido) benzene. Bioorganic & medicinal chemistry 20070115
Properties