Cas no 179421-02-4 (Benzenemethanol, 2,5-difluoro-3-methoxy-)
179421-02-4 structure
Product Name:Benzenemethanol, 2,5-difluoro-3-methoxy-
CAS No:179421-02-4
MF:C8H8F2O2
MW:174.144729614258
CID:3818022
PubChem ID:11446617
Update Time:2025-04-22
Benzenemethanol, 2,5-difluoro-3-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzenemethanol, 2,5-difluoro-3-methoxy-
- KYLHJVVHNLLEGB-UHFFFAOYSA-N
- 179421-02-4
- 2,5-Difluoro-3-methoxybenzyl alcohol
- SCHEMBL7802421
- 2,5-Difluoro-3-methoxybenzylalcohol
-
- Inchi： 1S/C8H8F2O2/c1-12-7-3-6(9)2-5(4-11)8(7)10/h2-3,11H,4H2,1H3
- InChI Key： KYLHJVVHNLLEGB-UHFFFAOYSA-N
- SMILES： C1(CO)=CC(F)=CC(OC)=C1F
Computed Properties
- Exact Mass: 174.04923582Da
- Monoisotopic Mass: 174.04923582Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 143
- 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: 1.2
- Topological Polar Surface Area: 29.5?2
Benzenemethanol, 2,5-difluoro-3-methoxy- Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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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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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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