Cas no 16473-21-5 (Benzonitrile, 4-(fluoromethyl)-)
16473-21-5 structure
Product Name:Benzonitrile, 4-(fluoromethyl)-
CAS No:16473-21-5
MF:C8H6FN
MW:135.138345241547
CID:1348698
PubChem ID:13117969
Update Time:2025-04-20
Benzonitrile, 4-(fluoromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile, 4-(fluoromethyl)-
- 4-(fluoromethyl)benzonitrile
- DTXSID40519328
- SCHEMBL10270726
- 16473-21-5
-
- Inchi： 1S/C8H6FN/c9-5-7-1-3-8(6-10)4-2-7/h1-4H,5H2
- InChI Key： HOMGOLHKENPGOG-UHFFFAOYSA-N
- SMILES： FCC1C=CC(C#N)=CC=1
Computed Properties
- Exact Mass: 135.04848
- Monoisotopic Mass: 135.048427358g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 139
- 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: 1.8
- Topological Polar Surface Area: 23.8?2
Experimental Properties
- PSA: 23.79
Benzonitrile, 4-(fluoromethyl)- Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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