Cas no 186590-09-0 (Benzonitrile,4-fluoro-2,3-dihydroxy-)
186590-09-0 structure
Product Name:Benzonitrile,4-fluoro-2,3-dihydroxy-
CAS No:186590-09-0
MF:C7H4FNO2
MW:153.110565185547
CID:114862
PubChem ID:45090565
Update Time:2025-04-18
Benzonitrile,4-fluoro-2,3-dihydroxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile,4-fluoro-2,3-dihydroxy-
- Benzonitrile, 4-fluoro-2,3-dihydroxy- (9CI)
- Benzonitrile,4-fluoro-2,3-dihydroxy-(9ci)
- 186590-09-0
- Benzonitrile, 4-fluoro-2,3-dihydroxy-
- DB-274687
-
- Inchi： 1S/C7H4FNO2/c8-5-2-1-4(3-9)6(10)7(5)11/h1-2,10-11H
- InChI Key： JLPFNWOPTVOKLF-UHFFFAOYSA-N
- SMILES： FC1=CC=C(C#N)C(=C1O)O
Computed Properties
- Exact Mass: 153.02262
- Monoisotopic Mass: 153.023
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 188
- 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: 64.2A^2
- XLogP3: 1.6
Experimental Properties
- PSA: 64.25
Benzonitrile,4-fluoro-2,3-dihydroxy- Related Literature
-
Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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