Cas no 947395-80-4 (4-Iodo-3-methylisoquinoline)
4-Iodo-3-methylisoquinoline structure
Product Name:4-Iodo-3-methylisoquinoline
CAS No:947395-80-4
MF:C10H8IN
MW:269.081694602966
CID:2852836
PubChem ID:57336668
Update Time:2024-03-01
4-Iodo-3-methylisoquinoline Chemical and Physical Properties
Names and Identifiers
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- 4-Iodo-3-methylisoquinoline
- Isoquinoline, 4-iodo-3-methyl-
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- Inchi： 1S/C10H8IN/c1-7-10(11)9-5-3-2-4-8(9)6-12-7/h2-6H,1H3
- InChI Key： WCUCENNZJXVTMB-UHFFFAOYSA-N
- SMILES： IC1C(C)=NC=C2C=CC=CC2=1
Computed Properties
- Exact Mass: 268.97015g/mol
- Monoisotopic Mass: 268.97015g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 160
- 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: 3.2
- Topological Polar Surface Area: 12.9
4-Iodo-3-methylisoquinoline Related Literature
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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