Cas no 158984-80-6 (7-(Benzyloxy)isoquinoline)
7-(Benzyloxy)isoquinoline structure
Product Name:7-(Benzyloxy)isoquinoline
CAS No:158984-80-6
MF:C16H13NO
MW:235.280524015427
CID:2108267
Update Time:2023-08-03
7-(Benzyloxy)isoquinoline Chemical and Physical Properties
Names and Identifiers
-
- 7-(benzyloxy)isoquinoline
- 7-Benzyloxyisoquinoline
- TZCRQKUXTYFUCV-UHFFFAOYSA-N
- 7-(Benzyloxy)isoquinoline
-
- Inchi： 1S/C16H13NO/c1-2-4-13(5-3-1)12-18-16-7-6-14-8-9-17-11-15(14)10-16/h1-11H,12H2
- InChI Key： TZCRQKUXTYFUCV-UHFFFAOYSA-N
- SMILES： O(CC1C=CC=CC=1)C1C=CC2C=CN=CC=2C=1
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 250
- XLogP3: 3.7
- Topological Polar Surface Area: 22.1
7-(Benzyloxy)isoquinoline Related Literature
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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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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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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