Cas no 515163-42-5 (2-methyl-7-Benzofurancarbonitrile)
515163-42-5 structure
Product Name:2-methyl-7-Benzofurancarbonitrile
CAS No:515163-42-5
MF:C10H7NO
MW:157.168682336807
CID:935479
PubChem ID:11400913
Update Time:2025-04-19
2-methyl-7-Benzofurancarbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 2-methyl-7-Benzofurancarbonitrile
- 7-Benzofurancarbonitrile, 2-methyl-
- 515163-42-5
- 2-methylbenzofuran-7-carbonitrile
-
- Inchi: 1S/C10H7NO/c1-7-5-8-3-2-4-9(6-11)10(8)12-7/h2-5H,1H3
- InChI Key: NOJRLJQQXHCONT-UHFFFAOYSA-N
- SMILES: O1C(C)=CC2C=CC=C(C#N)C1=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-7-Benzofurancarbonitrile Related Literature
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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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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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