Cas no 1203579-32-1 (3,4-dibromo-7-(trifluoromethyl)quinoline)
1203579-32-1 structure
Product Name:3,4-dibromo-7-(trifluoromethyl)quinoline
CAS No:1203579-32-1
MF:C10H4Br2F3N
MW:354.948671340942
CID:2617099
PubChem ID:45925777
Update Time:2025-04-21
3,4-dibromo-7-(trifluoromethyl)quinoline Chemical and Physical Properties
Names and Identifiers
-
- 3,4-dibromo-7-(trifluoromethyl)quinoline
- DTXSID60672666
- 1203579-32-1
- MFCD13619713
- 3,4-Dibromo-7-trifluoromethylquinoline
-
- Inchi： 1S/C10H4Br2F3N/c11-7-4-16-8-3-5(10(13,14)15)1-2-6(8)9(7)12/h1-4H
- InChI Key： JJBWRBARDRPPSA-UHFFFAOYSA-N
- SMILES： BrC1C(=CN=C2C=C(C(F)(F)F)C=CC2=1)Br
Computed Properties
- Exact Mass: 354.864
- Monoisotopic Mass: 352.866
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 0
- Complexity: 259
- 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
- Topological Polar Surface Area: 12.9A^2
- XLogP3: 4.5
3,4-dibromo-7-(trifluoromethyl)quinoline Related Literature
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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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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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