Cas no 632335-02-5 (Isoquinoline, 1-(4-fluorophenyl)-)
632335-02-5 structure
Product Name:Isoquinoline, 1-(4-fluorophenyl)-
CAS No:632335-02-5
MF:C15H10FN
MW:223.245007038116
CID:1649177
PubChem ID:20749488
Update Time:2025-04-21
Isoquinoline, 1-(4-fluorophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Isoquinoline, 1-(4-fluorophenyl)-
- 1-(4-Fluoro-phenyl)-isoquinoline
- SCHEMBL3391756
- 632335-02-5
- isoquinoline,1-(4-fluorophenyl)-
- DB-215618
- 1-(4-fluorophenyl)isoquinoline
-
- Inchi： 1S/C15H10FN/c16-13-7-5-12(6-8-13)15-14-4-2-1-3-11(14)9-10-17-15/h1-10H
- InChI Key： JGQQLQAYZXPOJS-UHFFFAOYSA-N
- SMILES： FC1C=CC(=CC=1)C1C2C=CC=CC=2C=CN=1
Computed Properties
- Exact Mass: 223.0798
- Monoisotopic Mass: 223.079727485g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 247
- 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
Experimental Properties
- PSA: 12.89
Isoquinoline, 1-(4-fluorophenyl)- Related Literature
-
Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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