Cas no 920035-44-5 (Benzonitrile, 3-(3-chloro-5-methoxyphenoxy)-)
920035-44-5 structure
Product Name:Benzonitrile, 3-(3-chloro-5-methoxyphenoxy)-
CAS No:920035-44-5
MF:C14H10ClNO2
MW:259.687702655792
CID:759134
PubChem ID:57443605
Update Time:2025-04-19
Benzonitrile, 3-(3-chloro-5-methoxyphenoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile, 3-(3-chloro-5-methoxyphenoxy)-
- 3-(3-chloro-5-methoxyphenoxy)benzonitrile
- 920035-44-5
- SCHEMBL3600097
- DTXSID00726490
-
- Inchi： 1S/C14H10ClNO2/c1-17-13-6-11(15)7-14(8-13)18-12-4-2-3-10(5-12)9-16/h2-8H,1H3
- InChI Key： DCDKAMUUAOBDCJ-UHFFFAOYSA-N
- SMILES： ClC1C=C(C=C(C=1)OC1C=CC=C(C#N)C=1)OC
Computed Properties
- Exact Mass: 259.0400063g/mol
- Monoisotopic Mass: 259.0400063g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 314
- 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: 3.8
- Topological Polar Surface Area: 42.2?2
Benzonitrile, 3-(3-chloro-5-methoxyphenoxy)- Related Literature
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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