Cas no 125110-12-5 ([1,1'-Biphenyl]-2,2'-dicarboxamide,4,4',6,6'-tetranitro-)
![[1,1'-Biphenyl]-2,2'-dicarboxamide,4,4',6,6'-tetranitro- structure](https://ossimg.kuujia.com/scimg/125500/125110-12-5x500.png)
125110-12-5 structure
Product Name:[1,1'-Biphenyl]-2,2'-dicarboxamide,4,4',6,6'-tetranitro-
CAS No:125110-12-5
MF:C14H8N6O10
MW:420.247522354126
CID:182072
PubChem ID:147820
Update Time:2025-04-19
[1,1'-Biphenyl]-2,2'-dicarboxamide,4,4',6,6'-tetranitro- Chemical and Physical Properties
Names and Identifiers
-
- [1,1'-Biphenyl]-2,2'-dicarboxamide,4,4',6,6'-tetranitro-
- 2-(2-carbamoyl-4,6-dinitrophenyl)-3,5-dinitrobenzamide
- 4,4',6,6'-Tetranitro-(1,1'-biphenyl)-2,2'-dicarboxamide
- 2,4,2'4'-Tetranitro-6,6'-diaminocarbonylbiphenyl
- 4,4',6,6'-Tetranitrobiphenyl-2,2'-dicarboxamide
- Diamide of 2,4,4',6'-tetranitrobiphenyl-2',6-dicarboxylic acid
- (1,1'-Biphenyl)-2,2'-dicarboxamide, 4,4',6,6'-tetranitro-
- DTXSID40154657
- 125110-12-5
-
- Inchi： 1S/C14H8N6O10/c15-13(21)7-1-5(17(23)24)3-9(19(27)28)11(7)12-8(14(16)22)2-6(18(25)26)4-10(12)20(29)30/h1-4H,(H2,15,21)(H2,16,22)
- InChI Key： CMMATKPKXHWIGL-UHFFFAOYSA-N
- SMILES： O=C(C1C=C(C=C(C=1C1C(=CC(=CC=1C(N)=O)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])N
Computed Properties
- Exact Mass: 420.03000
- Monoisotopic Mass: 420.03019047g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 30
- Rotatable Bond Count: 3
- Complexity: 703
- 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
- Surface Charge: 0
- Tautomer Count: 3
- XLogP3: 0.6
- Topological Polar Surface Area: 270?2
Experimental Properties
- PSA: 269.46000
- LogP: 4.67760
[1,1'-Biphenyl]-2,2'-dicarboxamide,4,4',6,6'-tetranitro- Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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