Cas no 59961-88-5 (Butanenitrile, 4-(4-fluorophenoxy)-3-hydroxy-)
59961-88-5 structure
Product Name:Butanenitrile, 4-(4-fluorophenoxy)-3-hydroxy-
CAS No:59961-88-5
MF:C10H10FNO2
MW:195.190306186676
CID:1617815
PubChem ID:13010438
Update Time:2025-04-21
Butanenitrile, 4-(4-fluorophenoxy)-3-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- Butanenitrile, 4-(4-fluorophenoxy)-3-hydroxy-
- 4-(4-fluorophenoxy)-3-hydroxybutanenitrile
- SCHEMBL11726707
- 59961-88-5
- DTXSID00514970
-
- Inchi： 1S/C10H10FNO2/c11-8-1-3-10(4-2-8)14-7-9(13)5-6-12/h1-4,9,13H,5,7H2
- InChI Key： DTWGERUVRJEYDD-UHFFFAOYSA-N
- SMILES： FC1C=CC(=CC=1)OCC(CC#N)O
Computed Properties
- Exact Mass: 195.0696
- Monoisotopic Mass: 195.06955672g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 205
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.1
- Topological Polar Surface Area: 53.2?2
Experimental Properties
- PSA: 53.25
Butanenitrile, 4-(4-fluorophenoxy)-3-hydroxy- Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
59961-88-5 (Butanenitrile, 4-(4-fluorophenoxy)-3-hydroxy-) Related Products
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