Cas no 256951-82-3 (2-Cyano-4-fluorobenzylcyanide)
2-Cyano-4-fluorobenzylcyanide structure
Product Name:2-Cyano-4-fluorobenzylcyanide
CAS No:256951-82-3
MF:C9H5FN2
MW:160.14780497551
CID:246947
PubChem ID:45090709
Update Time:2025-04-19
2-Cyano-4-fluorobenzylcyanide Chemical and Physical Properties
Names and Identifiers
-
- 2-Cyano-4-fluorobenzylcyanide
- 2-Cyano-4-fluorophenylacetonitrile
- 2-(cyanomethyl)-5-fluorobenzonitrile
- 2-cyano-4-fluoroBenzeneacetonitrile
- Benzeneacetonitrile,2-cyano-4-fluoro-
- DTXSID40666689
- AKOS006311866
- 256951-82-3
- SCHEMBL7661361
- FT-0695725
- 2-cyano-4-fluorobenzyl cyanide
-
- Inchi： 1S/C9H5FN2/c10-9-2-1-7(3-4-11)8(5-9)6-12/h1-2,5H,3H2
- InChI Key： XQBWYQLJKYOIER-UHFFFAOYSA-N
- SMILES： FC1C=CC(CC#N)=C(C#N)C=1
Computed Properties
- Exact Mass: 160.04375
- Monoisotopic Mass: 160.044
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 244
- 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
- Topological Polar Surface Area: 47.6A^2
- XLogP3: 1.4
Experimental Properties
- PSA: 47.58
2-Cyano-4-fluorobenzylcyanide Related Literature
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
256951-82-3 (2-Cyano-4-fluorobenzylcyanide) Related Products
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- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
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