Cas no 170880-96-3 (Ethanone,1-(2-fluorophenyl)-2,2-dihydroxy-)
170880-96-3 structure
Product Name:Ethanone,1-(2-fluorophenyl)-2,2-dihydroxy-
CAS No:170880-96-3
MF:C8H7FO3
MW:170.137786149979
CID:111374
PubChem ID:2783265
Update Time:2025-04-18
Ethanone,1-(2-fluorophenyl)-2,2-dihydroxy- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone,1-(2-fluorophenyl)-2,2-dihydroxy-
- 2-(2-fluorophenyl)-2-oxoacetaldehyde,hydrate
- 2-FLUOROPHENYLGLYOXAL HYDRATE
- DTXSID50382545
- SCHEMBL9329581
- 2-(2-fluorophenyl)-2-oxoacetaldehyde hydrate
- A811256
- AB49795
- 2-(2-fluorophenyl)-2-oxidanylidene-ethanal hydrate
- 170880-96-3
- 2-(2-fluorophenyl)-2-oxoacetaldehyde;hydrate
-
- Inchi： 1S/C8H5FO2.H2O/c9-7-4-2-1-3-6(7)8(11)5-10;/h1-5H;1H2
- InChI Key： SRFHVRGKWSAPSD-UHFFFAOYSA-N
- SMILES： FC1C=CC=CC=1C(C=O)=O.O
Computed Properties
- Exact Mass: 170.03800
- Monoisotopic Mass: 170.03792224g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 168
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 35.1?2
Experimental Properties
- PSA: 57.53000
- LogP: 0.31910
Ethanone,1-(2-fluorophenyl)-2,2-dihydroxy- Customs Data
- Customs Data：
United Statescustoms code:
2918303000Summary:
2918303000 Other Aromatic Carboxylic Acids With Aldehyde Or Ketone Function But Without Other Oxygen Function And Their Derivatives,(excluding Products Of Us Note 3 to Section 6). Rate general: 6.5%. Rate special: Free (A+,AU,BH,CA,CL,CO,D,E,IL,J,JO,K,KR,MA,MX,OM,P,PA,PE,SG). Rate 2: 15.4￠/kg + 57%
Ethanone,1-(2-fluorophenyl)-2,2-dihydroxy- Related Literature
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Wenjie Zhao,Hua Hou,Yuchun Jin,Zhixiang Zeng,Xuedong Wu,Qunji Xue RSC Adv., 2014,4, 60307-60315
-
Raheleh Torabi,Hedayatollah Ghourchian,Massoud Amanlou Org. Biomol. Chem., 2016,14, 8141-8153
-
Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
-
Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
-
James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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