Cas no 58200-06-9 (Carbamic acid,(5-nitro-1,3-phenylene)bis-, diethyl ester (9CI))
58200-06-9 structure
Product Name:Carbamic acid,(5-nitro-1,3-phenylene)bis-, diethyl ester (9CI)
CAS No:58200-06-9
MF:C12H15N3O6
MW:297.264003038406
CID:379185
PubChem ID:294761
Update Time:2025-04-19
Carbamic acid,(5-nitro-1,3-phenylene)bis-, diethyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Carbamic acid,(5-nitro-1,3-phenylene)bis-, diethyl ester (9CI)
- ethyl N-[3-(ethoxycarbonylamino)-5-nitrophenyl]carbamate
- NSC163806
- DTXSID80303965
- 58200-06-9
- NSC-163806
-
- Inchi： 1S/C12H15N3O6/c1-3-20-11(16)13-8-5-9(14-12(17)21-4-2)7-10(6-8)15(18)19/h5-7H,3-4H2,1-2H3,(H,13,16)(H,14,17)
- InChI Key： LCHOLHXRMLBTMA-UHFFFAOYSA-N
- SMILES： O(CC)C(NC1C=C(C=C(C=1)NC(=O)OCC)[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 297.09615
- Monoisotopic Mass: 297.09608521g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 21
- Rotatable Bond Count: 6
- Complexity: 356
- 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: 1.6
- Topological Polar Surface Area: 123?2
Experimental Properties
- PSA: 119.8
Carbamic acid,(5-nitro-1,3-phenylene)bis-, diethyl ester (9CI) Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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