Cas no 65306-79-8 (1H-Indole, 1-methyl-, compd. with 1,3,5-trinitrobenzene (1:1))
65306-79-8 structure
Product Name:1H-Indole, 1-methyl-, compd. with 1,3,5-trinitrobenzene (1:1)
CAS No:65306-79-8
MF:C15H12N4O6
MW:344.27898311615
CID:400723
PubChem ID:310018
Update Time:2025-04-19
1H-Indole, 1-methyl-, compd. with 1,3,5-trinitrobenzene (1:1) Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole, 1-methyl-, compd. with 1,3,5-trinitrobenzene (1:1)
- 1-methylindole,1,3,5-trinitrobenzene
- 65306-79-8
- DTXSID40309660
- NSC-212533
- NSC212533
-
- Inchi： 1S/C9H9N.C6H3N3O6/c1-10-7-6-8-4-2-3-5-9(8)10;10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h2-7H,1H3;1-3H
- InChI Key： CGPGJGSAPCOJTB-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=C(C=C(C=1)[N+](=O)[O-])[N+](=O)[O-])=O.N1(C)C=CC2C=CC=CC1=2
Computed Properties
- Exact Mass: 344.07576
- Monoisotopic Mass: 344.07568412g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 25
- Rotatable Bond Count: 0
- Complexity: 351
- 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: 142?2
Experimental Properties
- PSA: 134.35
1H-Indole, 1-methyl-, compd. with 1,3,5-trinitrobenzene (1:1) Related Literature
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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