Cas no 65341-83-5 ([4-(Benzyloxy)-2-bromo-5-methoxyphenyl]acetonitrile)
![[4-(Benzyloxy)-2-bromo-5-methoxyphenyl]acetonitrile structure](https://ossimg.kuujia.com/scimg/65500/65341-83-5x500.png)
65341-83-5 structure
Product Name:[4-(Benzyloxy)-2-bromo-5-methoxyphenyl]acetonitrile
CAS No:65341-83-5
MF:C16H14BrNO2
MW:332.191863536835
CID:2793779
PubChem ID:71370677
Update Time:2025-04-21
[4-(Benzyloxy)-2-bromo-5-methoxyphenyl]acetonitrile Chemical and Physical Properties
Names and Identifiers
-
- DTXSID10793653
- [4-(Benzyloxy)-2-bromo-5-methoxyphenyl]acetonitrile
- 65341-83-5
-
- Inchi： 1S/C16H14BrNO2/c1-19-15-9-13(7-8-18)14(17)10-16(15)20-11-12-5-3-2-4-6-12/h2-6,9-10H,7,11H2,1H3
- InChI Key： APSGIKATCJLTAP-UHFFFAOYSA-N
- SMILES： BrC1=CC(=C(C=C1CC#N)OC)OCC1C=CC=CC=1
Computed Properties
- Exact Mass: 331.02079Da
- Monoisotopic Mass: 331.02079Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 5
- Complexity: 335
- 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: 3.7
- Topological Polar Surface Area: 42.3?2
[4-(Benzyloxy)-2-bromo-5-methoxyphenyl]acetonitrile Related Literature
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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