Cas no 952664-78-7 (1H-Indole, 1-(1,1-dimethylethyl)-5-nitro-)
952664-78-7 structure
Product Name:1H-Indole, 1-(1,1-dimethylethyl)-5-nitro-
CAS No:952664-78-7
MF:C12H14N2O2
MW:218.251762866974
CID:2139284
Update Time:2023-08-04
1H-Indole, 1-(1,1-dimethylethyl)-5-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 1-tert-butyl-5-nitro-1H-indole
- 1-(tert-Butyl)-5-nitro-1H-indole
- 1H-Indole, 1-(1,1-dimethylethyl)-5-nitro-
- BBQUWLCGRDNGKD-UHFFFAOYSA-N
-
- Inchi： 1S/C12H14N2O2/c1-12(2,3)13-7-6-9-8-10(14(15)16)4-5-11(9)13/h4-8H,1-3H3
- InChI Key： BBQUWLCGRDNGKD-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=CC2=C(C=1)C=CN2C(C)(C)C)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 280
- Topological Polar Surface Area: 50.8
1H-Indole, 1-(1,1-dimethylethyl)-5-nitro- Related Literature
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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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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