Cas no 923022-42-8 (Isoquinoline, 7-bromo-1-chloro-6-fluoro-)
923022-42-8 structure
Product Name:Isoquinoline, 7-bromo-1-chloro-6-fluoro-
CAS No:923022-42-8
MF:C9H4BrClFN
MW:260.490163803101
CID:753626
PubChem ID:59818262
Update Time:2025-04-19
Isoquinoline, 7-bromo-1-chloro-6-fluoro- Chemical and Physical Properties
Names and Identifiers
-
- Isoquinoline, 7-bromo-1-chloro-6-fluoro-
- 7-bromo-1-chloro-6-fluoroisoquinoline
- DTXSID70733090
- 923022-42-8
- AT28986
- GUSIXATVRZYNHN-UHFFFAOYSA-N
- 7-Bromo-1-chloro-6-fluoro-isoquinoline
- SCHEMBL2336475
-
- Inchi： 1S/C9H4BrClFN/c10-7-4-6-5(3-8(7)12)1-2-13-9(6)11/h1-4H
- InChI Key： GUSIXATVRZYNHN-UHFFFAOYSA-N
- SMILES： BrC1C(=CC2C=CN=C(C=2C=1)Cl)F
Computed Properties
- Exact Mass: 258.91997g/mol
- Monoisotopic Mass: 258.91997g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 193
- 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: 3.9
- Topological Polar Surface Area: 12.9?2
Isoquinoline, 7-bromo-1-chloro-6-fluoro- Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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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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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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