Cas no 1041204-84-5 ([1,1'-Biphenyl]-3-carboxylicacid, 5-cyano-, methyl ester)
![[1,1'-Biphenyl]-3-carboxylicacid, 5-cyano-, methyl ester structure](https://ossimg.kuujia.com/scimg/1041500/1041204-84-5x500.png)
1041204-84-5 structure
Product Name:[1,1'-Biphenyl]-3-carboxylicacid, 5-cyano-, methyl ester
CAS No:1041204-84-5
MF:C15H11NO2
MW:237.253343820572
CID:97889
PubChem ID:57346364
Update Time:2025-04-18
[1,1'-Biphenyl]-3-carboxylicacid, 5-cyano-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- [1,1'-Biphenyl]-3-carboxylicacid, 5-cyano-, methyl ester
- Methyl5-cyanobiphenyl-3-carboxylate
- A901952
- SCHEMBL730588
- FT-0742435
- 5-cyano-,[1,1'-Biphenyl]-3-carboxylic acid methyl ester
- METHYL 5-CYANO-[1,1'-BIPHENYL]-3-CARBOXYLATE
- METHYL5-CYANO-[1,1'-BIPHENYL]-3-CARBOXYLATE
- Methyl 5-cyanobiphenyl-3-carboxylate
- QNKWXXLFSUYVNR-UHFFFAOYSA-N
- 1041204-84-5
-
- Inchi： 1S/C15H11NO2/c1-18-15(17)14-8-11(10-16)7-13(9-14)12-5-3-2-4-6-12/h2-9H,1H3
- InChI Key： QNKWXXLFSUYVNR-UHFFFAOYSA-N
- SMILES： O(C)C(C1=CC(C#N)=CC(=C1)C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 237.078978594g/mol
- Monoisotopic Mass: 237.078978594g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 338
- 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: 3.1
- Topological Polar Surface Area: 50.1?2
[1,1'-Biphenyl]-3-carboxylicacid, 5-cyano-, methyl ester Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
1041204-84-5 ([1,1'-Biphenyl]-3-carboxylicacid, 5-cyano-, methyl ester) Related Products
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