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Home Nitros Dimethyl nitroterephthalate

Dimethyl nitroterephthalate

CAS No.:
5292-45-5
Catalog Number:
AG003PMB
Molecular Formula:
C10H9NO6
Molecular Weight:
239.1816
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$13
- +
25g
95%
In Stock USA
United States
$19
- +
100g
95%
In Stock USA
United States
$50
- +
500g
95%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG003PMB
Chemical Name:
Dimethyl nitroterephthalate
CAS Number:
5292-45-5
Molecular Formula:
C10H9NO6
Molecular Weight:
239.1816
MDL Number:
MFCD00008422
IUPAC Name:
dimethyl 2-nitrobenzene-1,4-dicarboxylate
InChI:
InChI=1S/C10H9NO6/c1-16-9(12)6-3-4-7(10(13)17-2)8(5-6)11(14)15/h3-5H,1-2H3
InChI Key:
PAYWCKGMOYQZAW-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)[N+](=O)[O-])C(=O)OC
EC Number:
226-134-1
UNII:
59QLU09DZ4
NSC Number:
5056
Properties
Complexity:
323  
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:
1.6  
Literature
Title Journal
Dimethyl 2-nitro-terephthalate. Acta crystallographica. Section E, Structure reports online 20081101
Properties