Cas no 62215-36-5 (Isoquinoline, 4-phenoxy-)
Isoquinoline, 4-phenoxy- structure
Product Name:Isoquinoline, 4-phenoxy-
CAS No:62215-36-5
MF:C15H11NO
MW:221.253943681717
CID:454218
PubChem ID:71388745
Update Time:2025-04-19
Isoquinoline, 4-phenoxy- Chemical and Physical Properties
Names and Identifiers
-
- Isoquinoline, 4-phenoxy-
- 4-phenoxyisoquinoline
- 62215-36-5
- DTXSID10810798
-
- Inchi： 1S/C15H11NO/c1-2-7-13(8-3-1)17-15-11-16-10-12-6-4-5-9-14(12)15/h1-11H
- InChI Key： ABPWRDLLVWFFBY-UHFFFAOYSA-N
- SMILES： O(C1C=CC=CC=1)C1=CN=CC2C=CC=CC=21
Computed Properties
- Exact Mass: 221.08413
- Monoisotopic Mass: 221.084063974g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 237
- 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: 3.6
- Topological Polar Surface Area: 22.1?2
Experimental Properties
- PSA: 22.12
Isoquinoline, 4-phenoxy- Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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