Cas no 94432-01-6 (Carbamic acid, (4-nitrophenyl)-, dodecyl ester)
94432-01-6 structure
Product Name:Carbamic acid, (4-nitrophenyl)-, dodecyl ester
CAS No:94432-01-6
MF:C19H30N2O4
MW:350.452505588531
CID:752289
Update Time:2023-08-03
Carbamic acid, (4-nitrophenyl)-, dodecyl ester Chemical and Physical Properties
Names and Identifiers
-
- Carbamic acid, (4-nitrophenyl)-, dodecyl ester
- dodecyl N-(4-nitrophenyl)carbamate
- p-Nitro carbanilic acid, n-dodecyl ester
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- Inchi： 1S/C19H30N2O4/c1-2-3-4-5-6-7-8-9-10-11-16-25-19(22)20-17-12-14-18(15-13-17)21(23)24/h12-15H,2-11,16H2,1H3,(H,20,22)
- InChI Key： BFPRVWDBEWSDMC-UHFFFAOYSA-N
- SMILES： O(C(NC1C=CC(=CC=1)[N+](=O)[O-])=O)CCCCCCCCCCCC
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 25
- Rotatable Bond Count: 13
- Complexity: 363
- XLogP3: 7.4
- Topological Polar Surface Area: 84.2
Carbamic acid, (4-nitrophenyl)-, dodecyl ester Related Literature
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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