Cas no 1093261-32-5 (Tert-butyl 6-nitro-1H-benzo[d]imidazole-2-carboxylate)
![Tert-butyl 6-nitro-1H-benzo[d]imidazole-2-carboxylate structure](https://ossimg.kuujia.com/scimg/1093500/1093261-32-5x500.png)
1093261-32-5 structure
Product Name:Tert-butyl 6-nitro-1H-benzo[d]imidazole-2-carboxylate
CAS No:1093261-32-5
MF:C12H13N3O4
MW:263.249322652817
CID:2117547
Update Time:2023-08-04
Tert-butyl 6-nitro-1H-benzo[d]imidazole-2-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- tert-butyl 6-nitro-1H-benzo[d]imidazole-2-carboxylate
- WPIZVRRMIKZZCG-UHFFFAOYSA-N
- 1,1-dimethylethyl 5-nitro-1H-benzimidazole-2-carboxylate
- Tert-butyl 6-nitro-1H-benzo[d]imidazole-2-carboxylate
-
- Inchi： 1S/C12H13N3O4/c1-12(2,3)19-11(16)10-13-8-5-4-7(15(17)18)6-9(8)14-10/h4-6H,1-3H3,(H,13,14)
- InChI Key： WPIZVRRMIKZZCG-UHFFFAOYSA-N
- SMILES： O(C(C1=NC2C=CC(=CC=2N1)[N+](=O)[O-])=O)C(C)(C)C
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 374
- Topological Polar Surface Area: 101
Tert-butyl 6-nitro-1H-benzo[d]imidazole-2-carboxylate Related Literature
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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