Cas no 1020922-43-3 (Benzonitrile,2-(3-bromophenoxy)-)
1020922-43-3 structure
Product Name:Benzonitrile,2-(3-bromophenoxy)-
CAS No:1020922-43-3
MF:C13H8BrNO
MW:274.112722396851
CID:97931
PubChem ID:28602353
Update Time:2025-04-18
Benzonitrile,2-(3-bromophenoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile,2-(3-bromophenoxy)-
- 2-(3-bromophenoxy)Benzonitrile
- 5-bromo-phenoxybenzonitrile
- A1-05475
- SCHEMBL6867906
- AKOS000262320
- FT-0729673
- 1020922-43-3
- IKDLXUAFDWJHJL-UHFFFAOYSA-N
-
- Inchi： 1S/C13H8BrNO/c14-11-5-3-6-12(8-11)16-13-7-2-1-4-10(13)9-15/h1-8H
- InChI Key： IKDLXUAFDWJHJL-UHFFFAOYSA-N
- SMILES： BrC1=CC=CC(=C1)OC1C=CC=CC=1C#N
Computed Properties
- Exact Mass: 272.97893g/mol
- Monoisotopic Mass: 272.97893g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 272
- 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
- Molecular Weight: 274.11g/mol
- XLogP3: 3.9
- Topological Polar Surface Area: 33?2
Benzonitrile,2-(3-bromophenoxy)- Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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