Cas no 388622-50-2 (1,6-Naphthalenediol, 5-fluoro-)
388622-50-2 structure
Product Name:1,6-Naphthalenediol, 5-fluoro-
CAS No:388622-50-2
MF:C10H7FO2
MW:178.159786462784
CID:298910
PubChem ID:45120083
Update Time:2025-04-19
1,6-Naphthalenediol, 5-fluoro- Chemical and Physical Properties
Names and Identifiers
-
- 1,6-Naphthalenediol, 5-fluoro-
- 388622-50-2
- 5-Fluoronaphthalene-1,6-diol
-
- Inchi： 1S/C10H7FO2/c11-10-7-2-1-3-8(12)6(7)4-5-9(10)13/h1-5,12-13H
- InChI Key： ZYJMCIXRVRYDIT-UHFFFAOYSA-N
- SMILES： FC1=C(C=CC2=C(C=CC=C21)O)O
Computed Properties
- Exact Mass: 178.043
- Monoisotopic Mass: 178.043
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 186
- 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: 40.5A^2
- XLogP3: 2.6
1,6-Naphthalenediol, 5-fluoro- Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
-
Veluru Jagadeesh babu,Sesha Vempati RSC Adv., 2015,5, 66367-66375
-
Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
388622-50-2 (1,6-Naphthalenediol, 5-fluoro-) Related Products
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