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68084-17-3 | Ethyl 2-(2,4-dinitrophenyl)acetate
CAS No: 68084-17-3 Catalog No: AG006FZW MDL No:MFCD07778376
Product Description
Catalog Number:
AG006FZW
Chemical Name:
Ethyl 2-(2,4-dinitrophenyl)acetate
CAS Number:
68084-17-3
Molecular Formula:
C10H10N2O6
Molecular Weight:
254.1962
MDL Number:
MFCD07778376
IUPAC Name:
ethyl 2-(2,4-dinitrophenyl)acetate
InChI:
InChI=1S/C10H10N2O6/c1-2-18-10(13)5-7-3-4-8(11(14)15)6-9(7)12(16)17/h3-4,6H,2,5H2,1H3
InChI Key:
GLXVIYXAYZPDSM-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
EC Number:
268-429-8
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.054g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.198g/mol
Monoisotopic Mass:
254.054g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Methyl 2,2-bis-(2,4-dinitro-phen-yl)ethano-ate. | Acta crystallographica. Section E, Structure reports online 20111001 |
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