Cas no 872725-47-8 (Benzaldehyde, 5-fluoro-2-hydroxy-3-(hydroxymethyl)-)
872725-47-8 structure
Product Name:Benzaldehyde, 5-fluoro-2-hydroxy-3-(hydroxymethyl)-
CAS No:872725-47-8
MF:C8H7FO3
MW:170.137786149979
CID:1881824
PubChem ID:71413245
Update Time:2025-04-21
Benzaldehyde, 5-fluoro-2-hydroxy-3-(hydroxymethyl)- Chemical and Physical Properties
Names and Identifiers
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- Benzaldehyde, 5-fluoro-2-hydroxy-3-(hydroxymethyl)-
- 5-fluoro-2-hydroxy-3-(hydroxymethyl)benzaldehyde
- SCHEMBL18218322
- 872725-47-8
- DTXSID70832774
-
- Inchi： 1S/C8H7FO3/c9-7-1-5(3-10)8(12)6(2-7)4-11/h1-3,11-12H,4H2
- InChI Key： NGVGIIDXNRIPDD-UHFFFAOYSA-N
- SMILES： FC1C=C(C=O)C(=C(CO)C=1)O
Computed Properties
- Exact Mass: 170.03792224Da
- Monoisotopic Mass: 170.03792224Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 162
- 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: 0.6
- Topological Polar Surface Area: 57.5?2
Benzaldehyde, 5-fluoro-2-hydroxy-3-(hydroxymethyl)- Related Literature
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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Prajwalita Das,Kiyoteru Niina,Tomoya Hiromura,Etsuko Tokunaga,Norimichi Saito Chem. Sci., 2018,9, 4931-4936
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Xiuxia Yang,Lei Zhao,Zhichao Liu,Shuyu Tian,Hao Zhang,Xuhui Xu,Jianbei Qiu,Xue Yu Phys. Chem. Chem. Phys., 2020,22, 16294-16300
872725-47-8 (Benzaldehyde, 5-fluoro-2-hydroxy-3-(hydroxymethyl)-) Related Products
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