Cas no 2714-92-3 (Phenol, 3-fluoro-,1-benzoate)
Phenol, 3-fluoro-,1-benzoate structure
Product Name:Phenol, 3-fluoro-,1-benzoate
CAS No:2714-92-3
MF:C13H9FO2
MW:216.207767248154
CID:258176
PubChem ID:279733
Update Time:2025-04-19
Phenol, 3-fluoro-,1-benzoate Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 3-fluoro-,1-benzoate
- (3-fluorophenyl) benzoate
- (m-Fluorphenyl)-benzoat
- 3-fluorophenyl benzoate
- 3-Fluorphenyl-benzoat
- AC1L5QVZ
- AC1Q61GW
- AR-1F3260
- Benzoesaeure-(3-fluor-phenylester)
- Benzoesaeure-< 3-fluor-phenylester>
- CTK4F9157
- m-fluorophenyl benzoate
- NSC131002
- SureCN6643945
- SCHEMBL6643945
- NSC-131002
- 2714-92-3
- DTXSID80299475
-
- Inchi： 1S/C13H9FO2/c14-11-7-4-8-12(9-11)16-13(15)10-5-2-1-3-6-10/h1-9H
- InChI Key： PAUOKIZUAVMFGH-UHFFFAOYSA-N
- SMILES： FC1=CC=CC(=C1)OC(C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 216.05867
- 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: 3.7
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Phenol, 3-fluoro-,1-benzoate Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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