Cas no 62194-74-5 (Ethanediamide, N-(3-nitro-2-pyridinyl)-N'-(5-nitro-2-pyridinyl)-)
62194-74-5 structure
Product Name:Ethanediamide, N-(3-nitro-2-pyridinyl)-N'-(5-nitro-2-pyridinyl)-
CAS No:62194-74-5
MF:C12H8N6O6
MW:332.228521347046
CID:454780
PubChem ID:71388957
Update Time:2025-04-19
Ethanediamide, N-(3-nitro-2-pyridinyl)-N'-(5-nitro-2-pyridinyl)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanediamide, N-(3-nitro-2-pyridinyl)-N'-(5-nitro-2-pyridinyl)-
- N'-(3-nitropyridin-2-yl)-N-(5-nitropyridin-2-yl)oxamide
- N~1~-(3-Nitropyridin-2-yl)-N~2~-(5-nitropyridin-2-yl)ethanediamide
- DTXSID90811001
- 62194-74-5
-
- Inchi: 1S/C12H8N6O6/c19-11(15-9-4-3-7(6-14-9)17(21)22)12(20)16-10-8(18(23)24)2-1-5-13-10/h1-6H,(H,13,16,20)(H,14,15,19)
- InChI Key: LGXQUWWEAJELTG-UHFFFAOYSA-N
- SMILES: O=C(C(NC1C=CC(=CN=1)[N+](=O)[O-])=O)NC1C(=CC=CN=1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 332.05064
- Monoisotopic Mass: 332.05053200g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 24
- Rotatable Bond Count: 2
- Complexity: 517
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.1
- Topological Polar Surface Area: 176?2
Experimental Properties
- PSA: 170.26
Ethanediamide, N-(3-nitro-2-pyridinyl)-N'-(5-nitro-2-pyridinyl)- Related Literature
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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