Cas no 198879-88-8 (2-(4-Fluorophenyl)propanenitrile)
198879-88-8 structure
Product Name:2-(4-Fluorophenyl)propanenitrile
CAS No:198879-88-8
MF:C9H8FN
MW:149.164925575256
CID:877333
Update Time:2023-08-02
2-(4-Fluorophenyl)propanenitrile Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenenitrile,3-(4-fluorophenyl)-2-methyl-(9CI)
- 2-(4-Fluorophenyl)propanenitrile
- 2-(4-Fluorophenyl)propiononitrile
- JPTHCYFZRSLQMW-UHFFFAOYSA-N
- (R)-2-(4-Fluorophenyl)propanenitrile
- Benzeneacetonitrile, 4-fluoro-.alpha.-methyl-
- 2-(4-fluorophenyl)propanonitrile
- 2-(4-Fluorophenyl)propanenitrile #
- p-Fluoro-alpha-methylphenylacetonitrile
- Benzeneacetonitrile,4-fluoro-a-methyl-
- 4-fluoro-alpha-methylbenzeneacetonitrile
-
- Inchi： 1S/C9H8FN/c1-7(6-11)8-2-4-9(10)5-3-8/h2-5,7H,1H3
- InChI Key： JPTHCYFZRSLQMW-UHFFFAOYSA-N
- SMILES： FC1C=CC(=CC=1)C(C#N)C
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 162
- Topological Polar Surface Area: 23.8
2-(4-Fluorophenyl)propanenitrile Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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