Cas no 89735-29-5 (1,2-Benzenediol, 3-fluoro-5-(hydroxymethyl)-)
89735-29-5 structure
Product Name:1,2-Benzenediol, 3-fluoro-5-(hydroxymethyl)-
CAS No:89735-29-5
MF:C7H7FO3
MW:158.127085924149
CID:712260
Update Time:2024-01-31
1,2-Benzenediol, 3-fluoro-5-(hydroxymethyl)- Chemical and Physical Properties
Names and Identifiers
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- 1,2-Benzenediol, 3-fluoro-5-(hydroxymethyl)-
- 3-fluoro-5-(hydroxymethyl)benzene-1,2-diol
- 1,2-Benzenediol, 3-fluoro-5-(hydroxymethyl)-
-
- Inchi： 1S/C7H7FO3/c8-5-1-4(3-9)2-6(10)7(5)11/h1-2,9-11H,3H2
- InChI Key： CVINNDRXFCFDAG-UHFFFAOYSA-N
- SMILES： C1C(O)=C(O)C(F)=CC=1CO
Computed Properties
- Exact Mass: 158.038
- Monoisotopic Mass: 158.038
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 131
- 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
- Topological Polar Surface Area: 60.7A^2
1,2-Benzenediol, 3-fluoro-5-(hydroxymethyl)- Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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