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Home > Nitro Compounds > 5292-45-5
5292-45-5 | Dimethyl 2-nitroterephthalate
CAS No: 5292-45-5 Catalog No: AG003PMB MDL No:MFCD00008422
Product Description
Catalog Number:
AG003PMB
Chemical Name:
Dimethyl 2-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 |
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