Cas no 1028-21-3 (3,3,5,7-tetramethyl-4,6-dinitro-1,2-dihydroindene)
1028-21-3 structure
Product Name:3,3,5,7-tetramethyl-4,6-dinitro-1,2-dihydroindene
CAS No:1028-21-3
MF:C13H16N2O4
MW:264.277143478394
CID:1136529
PubChem ID:18179341
Update Time:2025-04-20
3,3,5,7-tetramethyl-4,6-dinitro-1,2-dihydroindene Chemical and Physical Properties
Names and Identifiers
-
- 3,3,5,7-tetramethyl-4,6-dinitro-1,2-dihydroindene
- SCHEMBL6538020
- 5,7-dinitro-1,1,4,6-tetramethylindane
- 1028-21-3
- 5,7-dinitro-1,1,4,6-tetramethylindan
- ZEBRPKFNGUEPCD-UHFFFAOYSA-N
- DTXSID10592608
- 1,1,4,6-Tetramethyl-5,7-dinitro-2,3-dihydro-1H-indene
-
- Inchi： 1S/C13H16N2O4/c1-7-9-5-6-13(3,4)10(9)12(15(18)19)8(2)11(7)14(16)17/h5-6H2,1-4H3
- InChI Key： ZEBRPKFNGUEPCD-UHFFFAOYSA-N
- SMILES： [O-][N+](C1=C(C)C(=C(C)C2CCC(C)(C)C=21)[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 264.11108
- Monoisotopic Mass: 264.11100700g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 0
- Complexity: 398
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4
- Topological Polar Surface Area: 91.6?2
Experimental Properties
- PSA: 86.28
3,3,5,7-tetramethyl-4,6-dinitro-1,2-dihydroindene Related Literature
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
1028-21-3 (3,3,5,7-tetramethyl-4,6-dinitro-1,2-dihydroindene) Related Products
- 116-66-5(1H-Indene,2,3-dihydro-1,1,3,3,5-pentamethyl-4,6-dinitro-)
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- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
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