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Home > Nitro Compounds > 16536-30-4
16536-30-4 | Ethanedioic acid, 1,2-bis(2,4-dinitrophenyl) ester
CAS No: 16536-30-4 Catalog No: AG001W3O MDL No:MFCD00010712
Product Description
Catalog Number:
AG001W3O
Chemical Name:
Ethanedioic acid, 1,2-bis(2,4-dinitrophenyl) ester
CAS Number:
16536-30-4
Molecular Formula:
C14H6N4O12
Molecular Weight:
422.2170
MDL Number:
MFCD00010712
IUPAC Name:
bis(2,4-dinitrophenyl) oxalate
InChI:
InChI=1S/C14H6N4O12/c19-13(29-11-3-1-7(15(21)22)5-9(11)17(25)26)14(20)30-12-4-2-8(16(23)24)6-10(12)18(27)28/h1-6H
InChI Key:
CBZOGAWUNMFXFQ-UHFFFAOYSA-N
SMILES:
O=C(C(=O)Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
673
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
421.998g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
422.218g/mol
Monoisotopic Mass:
421.998g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
236A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Kinetic-spectrometric three-dimensional chemiluminescence as an effective analytical tool. Application to the determination of benzo(a)pyrene. | Analytica chimica acta 20110408 |
| Establishment of process technology for the manufacture of dinitrogen pentoxide and its utility for the synthesis of most powerful explosive of today--CL-20. | Journal of hazardous materials 20050930 |
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