Cas no 62353-29-1 (2H-Benzimidazol-2-one, 1,3-dihydro-4,5,6,7-tetranitro-)
62353-29-1 structure
Product Name:2H-Benzimidazol-2-one, 1,3-dihydro-4,5,6,7-tetranitro-
CAS No:62353-29-1
MF:C7H2N6O9
MW:314.125580310822
CID:448190
PubChem ID:4180904
Update Time:2025-04-19
2H-Benzimidazol-2-one, 1,3-dihydro-4,5,6,7-tetranitro- Chemical and Physical Properties
Names and Identifiers
-
- 2H-Benzimidazol-2-one, 1,3-dihydro-4,5,6,7-tetranitro-
- 4,5,6,7-tetranitro-1,3-dihydrobenzimidazol-2-one
- 4,5,6,7-TETRANITRO-1,3-DIHYDRO-2H-1,3-BENZIMIDAZOL-2-ONE
- AC1N4LVC
- DTXSID20400386
- AKOS005592958
- 62353-29-1
- 4,5,6,7-tetranitro-2,3-dihydro-1h-benzimidazol-2-one
-
- Inchi： 1S/C7H2N6O9/c14-7-8-1-2(9-7)4(11(17)18)6(13(21)22)5(12(19)20)3(1)10(15)16/h(H2,8,9,14)
- InChI Key： NHYNXHSWBOUVHA-UHFFFAOYSA-N
- SMILES： O=C1NC2C(=C(C(=C(C=2N1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Computed Properties
- Exact Mass: 313.98836
- Monoisotopic Mass: 313.98832566g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 22
- Rotatable Bond Count: 0
- Complexity: 509
- 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: -0.1
- Topological Polar Surface Area: 224?2
Experimental Properties
- PSA: 213.69
2H-Benzimidazol-2-one, 1,3-dihydro-4,5,6,7-tetranitro- Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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