Cas no 956700-16-6 (ISOQUINOLINE, 7-BROMO-1-CHLORO-4-FLUORO-)
956700-16-6 structure
Product Name:ISOQUINOLINE, 7-BROMO-1-CHLORO-4-FLUORO-
CAS No:956700-16-6
MF:C9H4BrClFN
MW:260.490163803101
CID:1985931
PubChem ID:76851604
Update Time:2025-04-21
ISOQUINOLINE, 7-BROMO-1-CHLORO-4-FLUORO- Chemical and Physical Properties
Names and Identifiers
-
- ISOQUINOLINE, 7-BROMO-1-CHLORO-4-FLUORO-
- AKOS025395112
- 956700-16-6
- 7-Bromo-1-chloro-4-fluoroisoquinoline
- DTXSID901286353
-
- Inchi： 1S/C9H4BrClFN/c10-5-1-2-6-7(3-5)9(11)13-4-8(6)12/h1-4H
- InChI Key： WGKCGLPGSTWFRH-UHFFFAOYSA-N
- SMILES： BrC1C=CC2C(=CN=C(C=2C=1)Cl)F
Computed Properties
- Exact Mass: 258.91997Da
- Monoisotopic Mass: 258.91997Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 192
- 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-4-FLUORO- Related Literature
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
-
Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
-
Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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