Cas no 99758-85-7 (1-Tert-Butyl-3,5-diethyl-2,4,6-trinitrobenzene)
99758-85-7 structure
Product Name:1-Tert-Butyl-3,5-diethyl-2,4,6-trinitrobenzene
CAS No:99758-85-7
MF:C14H19N3O6
MW:325.317163705826
CID:750083
Update Time:2023-08-03
1-Tert-Butyl-3,5-diethyl-2,4,6-trinitrobenzene Chemical and Physical Properties
Names and Identifiers
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- Benzene, 1-(1,1-dimethylethyl)-3,5-diethyl-2,4,6-trinitro-
- 1-tert-butyl-3,5-diethyl-2,4,6-trinitrobenzene
- 1-Tert-Butyl-3,5-diethyl-2,4,6-trinitrobenzene
-
- Inchi： 1S/C14H19N3O6/c1-6-8-11(15(18)19)9(7-2)13(17(22)23)10(14(3,4)5)12(8)16(20)21/h6-7H2,1-5H3
- InChI Key： QMNBZCPVXSWWCO-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C(CC)=C(C(CC)=C(C=1C(C)(C)C)[N+](=O)[O-])[N+](=O)[O-])=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 23
- Rotatable Bond Count: 3
- Complexity: 443
- Topological Polar Surface Area: 138
1-Tert-Butyl-3,5-diethyl-2,4,6-trinitrobenzene Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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