Cas no 367-98-6 (Phenol, 2-fluoro-, benzoate)
Phenol, 2-fluoro-, benzoate structure
Product Name:Phenol, 2-fluoro-, benzoate
CAS No:367-98-6
MF:C13H9FO2
MW:216.207767248154
CID:1479372
PubChem ID:10751194
Update Time:2025-04-21
Phenol, 2-fluoro-, benzoate Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 2-fluoro-, benzoate
- benzoic acid 2-fluorophenyl ester
- DTXSID501307074
- SCHEMBL1323923
- AKOS017059952
- 367-98-6
- Phenol, 2-fluoro-, 1-benzoate
-
- Inchi： 1S/C13H9FO2/c14-11-8-4-5-9-12(11)16-13(15)10-6-2-1-3-7-10/h1-9H
- InChI Key： XEYMVZOWXZGXAW-UHFFFAOYSA-N
- SMILES： FC1C=CC=CC=1OC(C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 234.06923
- Monoisotopic Mass: 216.05865769g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 236
- 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: 3.4
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 57.53
Phenol, 2-fluoro-, benzoate Related Literature
-
Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
-
Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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