Cas no 515163-40-3 (2-methyl-4-Benzofurancarbonitrile)
515163-40-3 structure
Product Name:2-methyl-4-Benzofurancarbonitrile
CAS No:515163-40-3
MF:C10H7NO
MW:157.168682336807
CID:935478
PubChem ID:12046297
Update Time:2025-04-19
2-methyl-4-Benzofurancarbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 2-methyl-4-Benzofurancarbonitrile
- 2-methyl-1-benzofuran-4-carbonitrile
- 4-Benzofurancarbonitrile, 2-methyl-
- 515163-40-3
- 2-Methylbenzofuran-4-carbonitrile
-
- Inchi： 1S/C10H7NO/c1-7-5-9-8(6-11)3-2-4-10(9)12-7/h2-5H,1H3
- InChI Key： HHLAKQNKQYAJFL-UHFFFAOYSA-N
- SMILES： O1C(C)=CC2C(C#N)=CC=CC1=2
Computed Properties
- Exact Mass: 157.052763847g/mol
- Monoisotopic Mass: 157.052763847g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 217
- 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: 2.4
- Topological Polar Surface Area: 36.9?2
2-methyl-4-Benzofurancarbonitrile Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
515163-40-3 (2-methyl-4-Benzofurancarbonitrile) Related Products
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