Cas no 457628-15-8 (BENZALDEHYDE, 6-FLUORO-2-HYDROXY-3-METHOXY-)
457628-15-8 structure
Product Name:BENZALDEHYDE, 6-FLUORO-2-HYDROXY-3-METHOXY-
CAS No:457628-15-8
MF:C8H7FO3
MW:170.137786149979
CID:3352385
PubChem ID:22482818
Update Time:2025-04-21
BENZALDEHYDE, 6-FLUORO-2-HYDROXY-3-METHOXY- Chemical and Physical Properties
Names and Identifiers
-
- BENZALDEHYDE, 6-FLUORO-2-HYDROXY-3-METHOXY-
- 6-Fluoro-2-hydroxy-3-methoxybenzaldehyde
- 6-fluoro-2-hydroxy-3-methoxy-benzaldehyde
- ZHKPHJFAXZCKDQ-UHFFFAOYSA-N
- DB-113993
- DTXSID201273690
- SCHEMBL1477693
- 457628-15-8
-
- Inchi： 1S/C8H7FO3/c1-12-7-3-2-6(9)5(4-10)8(7)11/h2-4,11H,1H3
- InChI Key： ZHKPHJFAXZCKDQ-UHFFFAOYSA-N
- SMILES： FC1C=CC(=C(C=1C=O)O)OC
Computed Properties
- Exact Mass: 170.03792224g/mol
- 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: 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: 1.5
- Topological Polar Surface Area: 46.5?2
BENZALDEHYDE, 6-FLUORO-2-HYDROXY-3-METHOXY- Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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