Cas no 478908-75-7 (Methyl 4-cyano-2-(2-methylphenyl)benzoate)
478908-75-7 structure
Product Name:Methyl 4-cyano-2-(2-methylphenyl)benzoate
CAS No:478908-75-7
MF:C16H13NO2
MW:251.279924154282
CID:2695842
PubChem ID:11615778
Update Time:2025-04-21
Methyl 4-cyano-2-(2-methylphenyl)benzoate Chemical and Physical Properties
Names and Identifiers
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- 478908-75-7
- SCHEMBL6776888
- XAHOKSLTUGVQBL-UHFFFAOYSA-N
- CS-0452783
- [1,1'-Biphenyl]-2-carboxylic acid, 5-cyano-2'-methyl-, methyl ester
- [1,1'-Biphenyl]-2-carboxylicacid,5-cyano-2'-methyl-,methylester
- Methyl 5-cyano-2'-methyl-[1,1'-biphenyl]-2-carboxylate
- Methyl 4-cyano-2-(2-methylphenyl)benzoate
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- Inchi： 1S/C16H13NO2/c1-11-5-3-4-6-13(11)15-9-12(10-17)7-8-14(15)16(18)19-2/h3-9H,1-2H3
- InChI Key： XAHOKSLTUGVQBL-UHFFFAOYSA-N
- SMILES： O(C)C(C1C=CC(C#N)=CC=1C1C=CC=CC=1C)=O
Computed Properties
- Exact Mass: 251.094628657Da
- Monoisotopic Mass: 251.094628657Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 370
- 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: 3.5
- Topological Polar Surface Area: 50.1?2
Methyl 4-cyano-2-(2-methylphenyl)benzoate Related Literature
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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