Cas no 862075-83-0 (4-(difluoromethyl)-Isoquinoline)
862075-83-0 structure
Product Name:4-(difluoromethyl)-Isoquinoline
CAS No:862075-83-0
MF:C10H7F2N
MW:179.166089296341
CID:1119398
PubChem ID:53421072
Update Time:2025-04-20
4-(difluoromethyl)-Isoquinoline Chemical and Physical Properties
Names and Identifiers
-
- 4-(difluoromethyl)-Isoquinoline
- 4-(DIFLUOROMETHYL)ISOQUINOLINE
- IGUGVQIWPKCAHR-UHFFFAOYSA-N
- SCHEMBL17228514
- 862075-83-0
-
- Inchi： 1S/C10H7F2N/c11-10(12)9-6-13-5-7-3-1-2-4-8(7)9/h1-6,10H
- InChI Key： IGUGVQIWPKCAHR-UHFFFAOYSA-N
- SMILES： FC(C1C=NC=C2C=CC=CC2=1)F
Computed Properties
- Exact Mass: 179.05465555g/mol
- Monoisotopic Mass: 179.05465555g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 172
- 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: 2.7
- Topological Polar Surface Area: 12.9?2
4-(difluoromethyl)-Isoquinoline Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
-
Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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