Cas no 100663-79-4 (Carbamic acid, (2,6-dinitrophenyl)-, ethyl ester)
100663-79-4 structure
Product Name:Carbamic acid, (2,6-dinitrophenyl)-, ethyl ester
CAS No:100663-79-4
MF:C9H9N3O6
MW:255.184262037277
CID:1126289
PubChem ID:13468676
Update Time:2025-04-20
Carbamic acid, (2,6-dinitrophenyl)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Carbamic acid, (2,6-dinitrophenyl)-, ethyl ester
- ethyl N-(2,6-dinitrophenyl)carbamate
- 100663-79-4
- Carbamic acid, (2,6-dinitrophenyl)-, ethyl ester (9CI)
- Ethyl (2,6-dinitrophenyl)carbamate
- DTXSID90541619
-
- Inchi： 1S/C9H9N3O6/c1-2-18-9(13)10-8-6(11(14)15)4-3-5-7(8)12(16)17/h3-5H,2H2,1H3,(H,10,13)
- InChI Key： PUHVPYFHXDBIAM-UHFFFAOYSA-N
- SMILES： O(CC)C(NC1C(=CC=CC=1[N+](=O)[O-])[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 255.04917
- Monoisotopic Mass: 255.04913502g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 314
- 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: 1.3
- Topological Polar Surface Area: 130?2
Experimental Properties
- PSA: 124.61
Carbamic acid, (2,6-dinitrophenyl)-, ethyl ester Related Literature
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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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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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