Cas no 90171-11-2 (Benzene,2,4-dichloro-1,3,5-trinitro-, copper-coupled)
90171-11-2 structure
Product Name:Benzene,2,4-dichloro-1,3,5-trinitro-, copper-coupled
CAS No:90171-11-2
MF:C6HCl2N3O6
MW:281.994639158249
CID:805435
Update Time:2024-02-02
Benzene,2,4-dichloro-1,3,5-trinitro-, copper-coupled Chemical and Physical Properties
Names and Identifiers
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- Benzene,2,4-dichloro-1,3,5-trinitro-, copper-coupled
- Benzene, 2,4-dichloro-1,3,5-trinitro-, copper-coupled
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- Inchi： 1S/C6HCl2N3O6/c7-4-2(9(12)13)1-3(10(14)15)5(8)6(4)11(16)17/h1H
- InChI Key： VNOJQYPHLMLHGQ-UHFFFAOYSA-N
- SMILES： C1([N+]([O-])=O)=CC([N+]([O-])=O)=C(Cl)C([N+]([O-])=O)=C1Cl
Computed Properties
- Exact Mass: 280.924
- Monoisotopic Mass: 280.924
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 17
- Rotatable Bond Count: 0
- Complexity: 323
- 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: 3.4
- Topological Polar Surface Area: 138A^2
Experimental Properties
- Density: 1.894
- Boiling Point: 380°Cat760mmHg
- Flash Point: 183.6°C
- Refractive Index: 1.671
- PSA: 137.46000
- LogP: 4.28760
Benzene,2,4-dichloro-1,3,5-trinitro-, copper-coupled Related Literature
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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