Cas no 30454-91-2 (Benzene, 1,2-dinitro-4,5-bis(trifluoromethyl)-)
30454-91-2 structure
Product Name:Benzene, 1,2-dinitro-4,5-bis(trifluoromethyl)-
CAS No:30454-91-2
MF:C8H2F6N2O4
MW:304.102902889252
CID:1443181
PubChem ID:71361311
Update Time:2025-04-20
Benzene, 1,2-dinitro-4,5-bis(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1,2-dinitro-4,5-bis(trifluoromethyl)-
- 1,2-dinitro-4,5-bis(trifluoromethyl)benzene
- DTXSID30785055
- 30454-91-2
-
- Inchi： 1S/C8H2F6N2O4/c9-7(10,11)3-1-5(15(17)18)6(16(19)20)2-4(3)8(12,13)14/h1-2H
- InChI Key： QDSXOVPKNZEPPV-UHFFFAOYSA-N
- SMILES： FC(C1C=C(C(=CC=1C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-])(F)F
Computed Properties
- Exact Mass: 303.99186
- Monoisotopic Mass: 303.99187552g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 20
- Rotatable Bond Count: 0
- Complexity: 360
- 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: 3.3
- Topological Polar Surface Area: 91.6?2
Experimental Properties
- PSA: 86.28
Benzene, 1,2-dinitro-4,5-bis(trifluoromethyl)- Related Literature
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
30454-91-2 (Benzene, 1,2-dinitro-4,5-bis(trifluoromethyl)-) Related Products
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