Cas no 361-43-3 (1-bromo-2-fluoro-3,5-dimethyl-4,6-dinitrobenzene)
361-43-3 structure
Product Name:1-bromo-2-fluoro-3,5-dimethyl-4,6-dinitrobenzene
CAS No:361-43-3
MF:C8H6BrFN2O4
MW:293.046644687653
CID:921063
PubChem ID:292970
Update Time:2025-04-19
1-bromo-2-fluoro-3,5-dimethyl-4,6-dinitrobenzene Chemical and Physical Properties
Names and Identifiers
-
- 1-bromo-2-fluoro-3,5-dimethyl-4,6-dinitrobenzene
- 1-Brom-2-fluor-3,5-dimethyl-4,6-dinitro-benzol
- 1-bromo-2-fluoro-3,5-dimethyl-4,6-dinitro-benzene
- AC1L6J5F
- AC1Q4N43
- AG-K-87179
- AR-1C1941
- CTK4H5978
- NSC159244
- NSC-159244
- 361-43-3
- DTXSID50303593
-
- Inchi： 1S/C8H6BrFN2O4/c1-3-6(10)5(9)8(12(15)16)4(2)7(3)11(13)14/h1-2H3
- InChI Key： DMJSCTASERIQOR-UHFFFAOYSA-N
- SMILES： BrC1C(=C(C)C(=C(C)C=1[N+](=O)[O-])[N+](=O)[O-])F
Computed Properties
- Exact Mass: 291.94948
- Monoisotopic Mass: 291.94950g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 0
- Complexity: 305
- 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: 3.1
- Topological Polar Surface Area: 91.6?2
Experimental Properties
- PSA: 86.28
- LogP: 4.06780
1-bromo-2-fluoro-3,5-dimethyl-4,6-dinitrobenzene Related Literature
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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5. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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