Cas no 7533-21-3 (6-methoxyquinoline;2,4,6-trinitrophenol)
7533-21-3 structure
Product Name:6-methoxyquinoline;2,4,6-trinitrophenol
CAS No:7533-21-3
MF:C16H12N4O8
MW:388.28848361969
CID:981709
PubChem ID:313232
Update Time:2025-04-19
6-methoxyquinoline;2,4,6-trinitrophenol Chemical and Physical Properties
Names and Identifiers
-
- 6-methoxyquinoline,2,4,6-trinitrophenol
- 2,4,6-trinitrophenol
- 6-methoxyquinoline
- AKOS024430993
- 6-methoxyquinoline; 2,4,6-trinitrophenol
- NSC226827
- 7533-21-3
- DTXSID40310397
- NSC-226827
- 6-METHOXYQUINOLINE PICRATE
- 6-methoxyquinoline;2,4,6-trinitrophenol
-
- Inchi： 1S/C10H9NO.C6H3N3O7/c1-12-9-4-5-10-8(7-9)3-2-6-11-10;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-7H,1H3;1-2,10H
- InChI Key： MIKABYXMZMZBNZ-UHFFFAOYSA-N
- SMILES： O(C)C1C=CC2C(=CC=CN=2)C=1.OC1C(=CC(=CC=1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Computed Properties
- Exact Mass: 388.06556
- Monoisotopic Mass: 388.06551335g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 28
- Rotatable Bond Count: 1
- Complexity: 440
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 180?2
Experimental Properties
- PSA: 171.77
6-methoxyquinoline;2,4,6-trinitrophenol Related Literature
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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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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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