Cas no 874942-09-3 (Isoquinoline, 6,8-difluoro-1,2,3,4-tetrahydro-)
874942-09-3 structure
Product Name:Isoquinoline, 6,8-difluoro-1,2,3,4-tetrahydro-
CAS No:874942-09-3
MF:C9H9F2N
MW:169.171269178391
CID:1899005
PubChem ID:64386731
Update Time:2025-04-21
Isoquinoline, 6,8-difluoro-1,2,3,4-tetrahydro- Chemical and Physical Properties
Names and Identifiers
-
- Isoquinoline, 6,8-difluoro-1,2,3,4-tetrahydro-
- 6,8-difluoro-1,2,3,4-tetrahydroisoquinoline
- 874942-09-3
- SCHEMBL627438
- DTXSID101264494
- DA-36668
- AKOS013709452
-
- Inchi： 1S/C9H9F2N/c10-7-3-6-1-2-12-5-8(6)9(11)4-7/h3-4,12H,1-2,5H2
- InChI Key： XJNWOYKUWYLBSL-UHFFFAOYSA-N
- SMILES： FC1=CC(=CC2=C1CNCC2)F
Computed Properties
- Exact Mass: 169.07030562Da
- Monoisotopic Mass: 169.07030562Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 163
- 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: 1.5
- Topological Polar Surface Area: 12?2
Isoquinoline, 6,8-difluoro-1,2,3,4-tetrahydro- Related Literature
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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