Cas no 521313-57-5 (Isoquinoline, 8-bromo-5-(phenylmethoxy)-)
521313-57-5 structure
Product Name:Isoquinoline, 8-bromo-5-(phenylmethoxy)-
CAS No:521313-57-5
MF:C16H12BrNO
MW:314.1765832901
CID:1575858
PubChem ID:69449029
Update Time:2025-04-21
Isoquinoline, 8-bromo-5-(phenylmethoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Isoquinoline, 8-bromo-5-(phenylmethoxy)-
- FTUGLRZTWANTCQ-UHFFFAOYSA-N
- DB-384400
- SCHEMBL5456717
- 521313-57-5
- 8-Bromo-5-(phenylmethoxy)isoquinoline
- 5-benzyloxy-8-bromo-isoquinoline
-
- Inchi： 1S/C16H12BrNO/c17-15-6-7-16(13-8-9-18-10-14(13)15)19-11-12-4-2-1-3-5-12/h1-10H,11H2
- InChI Key： FTUGLRZTWANTCQ-UHFFFAOYSA-N
- SMILES： BrC1=CC=C(C2C=CN=CC=21)OCC1C=CC=CC=1
Computed Properties
- Exact Mass: 313.01026
- Monoisotopic Mass: 313.01023g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 280
- 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: 4.3
- Topological Polar Surface Area: 22.1?2
Experimental Properties
- PSA: 22.12
Isoquinoline, 8-bromo-5-(phenylmethoxy)- Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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