Cas no 388076-73-1 (6-Isoquinolinol, 1-methyl-4-(trifluoromethyl)-)
388076-73-1 structure
Product Name:6-Isoquinolinol, 1-methyl-4-(trifluoromethyl)-
CAS No:388076-73-1
MF:C11H8F3NO
MW:227.18253326416
CID:1491768
PubChem ID:136251943
Update Time:2025-04-21
6-Isoquinolinol, 1-methyl-4-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 6-Isoquinolinol, 1-methyl-4-(trifluoromethyl)-
- 1-methyl-4-(trifluoromethyl)-2H-isoquinolin-6-one
- 1-METHYL-4-(TRIFLUOROMETHYL)ISOQUINOLIN-6-OL
- 388076-73-1
- 1-Methyl-4-(trifluoromethyl)isoquinolin-6(2H)-one
- DTXSID50784308
-
- Inchi： 1S/C11H8F3NO/c1-6-8-3-2-7(16)4-9(8)10(5-15-6)11(12,13)14/h2-5,16H,1H3
- InChI Key： YLIVLOVHHVPFAY-UHFFFAOYSA-N
- SMILES： FC(C1=CN=C(C)C2C=CC(=CC=21)O)(F)F
Computed Properties
- Exact Mass: 227.05584
- Monoisotopic Mass: 227.05579836g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 0
- Complexity: 256
- 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
- Topological Polar Surface Area: 33.1?2
Experimental Properties
- PSA: 33.12
6-Isoquinolinol, 1-methyl-4-(trifluoromethyl)- Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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