Cas no 1215767-87-5 (5-Bromo-1,3-dimethoxyisoquinoline)
1215767-87-5 structure
Product Name:5-Bromo-1,3-dimethoxyisoquinoline
CAS No:1215767-87-5
MF:C11H10BrNO2
MW:268.106602191925
CID:2107607
Update Time:2023-08-03
5-Bromo-1,3-dimethoxyisoquinoline Chemical and Physical Properties
Names and Identifiers
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- 5-bromo-1,3-dimethoxyisoquinoline
- AVIFKBXVWZIXIP-UHFFFAOYSA-N
- 5-Bromo-1,3-dimethoxyisoquinoline
-
- Inchi： 1S/C11H10BrNO2/c1-14-10-6-8-7(11(13-10)15-2)4-3-5-9(8)12/h3-6H,1-2H3
- InChI Key： AVIFKBXVWZIXIP-UHFFFAOYSA-N
- SMILES： BrC1=CC=CC2C(=NC(=CC=21)OC)OC
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 215
- Topological Polar Surface Area: 31.4
5-Bromo-1,3-dimethoxyisoquinoline Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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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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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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