Cas no 90179-01-4 (Benzonitrile, 4-[4-[(4-bromo-2-formylphenoxy)methyl]phenoxy]-)
![Benzonitrile, 4-[4-[(4-bromo-2-formylphenoxy)methyl]phenoxy]- structure](https://ossimg.kuujia.com/scimg/90500/90179-01-4x500.png)
90179-01-4 structure
Product Name:Benzonitrile, 4-[4-[(4-bromo-2-formylphenoxy)methyl]phenoxy]-
CAS No:90179-01-4
MF:C21H14BrNO3
MW:408.24476480484
CID:792401
PubChem ID:13238587
Update Time:2025-04-19
Benzonitrile, 4-[4-[(4-bromo-2-formylphenoxy)methyl]phenoxy]- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile, 4-[4-[(4-bromo-2-formylphenoxy)methyl]phenoxy]-
- 4-[4-[(4-bromo-2-formylphenoxy)methyl]phenoxy]benzonitrile
- 90179-01-4
- 4-{4-[(4-Bromo-2-formylphenoxy)methyl]phenoxy}benzonitrile
- DTXSID20531109
-
- Inchi： 1S/C21H14BrNO3/c22-18-5-10-21(17(11-18)13-24)25-14-16-3-8-20(9-4-16)26-19-6-1-15(12-23)2-7-19/h1-11,13H,14H2
- InChI Key： YJQYGYHJRHFWIH-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=C(C=O)C=1)OCC1C=CC(=CC=1)OC1C=CC(C#N)=CC=1
Computed Properties
- Exact Mass: 407.01571g/mol
- Monoisotopic Mass: 407.01571g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 26
- Rotatable Bond Count: 6
- Complexity: 489
- 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: 4.8
- Topological Polar Surface Area: 59.3?2
Benzonitrile, 4-[4-[(4-bromo-2-formylphenoxy)methyl]phenoxy]- Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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