Cas no 106104-82-9 (4-chloro-2-fluoro-5-propan-2-yloxyphenol)
106104-82-9 structure
Product Name:4-chloro-2-fluoro-5-propan-2-yloxyphenol
CAS No:106104-82-9
MF:C9H10ClFO2
MW:204.625905513763
CID:1174505
PubChem ID:15595929
Update Time:2025-04-20
4-chloro-2-fluoro-5-propan-2-yloxyphenol Chemical and Physical Properties
Names and Identifiers
-
- 4-chloro-2-fluoro-5-propan-2-yloxyphenol
- 106104-82-9
- 4-Chloro-2-fluoro-5-[(propan-2-yl)oxy]phenol
- DTXSID30575413
-
- Inchi: 1S/C9H10ClFO2/c1-5(2)13-9-4-8(12)7(11)3-6(9)10/h3-5,12H,1-2H3
- InChI Key: BMCOOSLUTJXHQX-UHFFFAOYSA-N
- SMILES: ClC1=CC(=C(C=C1OC(C)C)O)F
Computed Properties
- Exact Mass: 204.0354
- Monoisotopic Mass: 204.0353354g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 166
- 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: 3.1
- Topological Polar Surface Area: 29.5?2
Experimental Properties
- PSA: 29.46
4-chloro-2-fluoro-5-propan-2-yloxyphenol Related Literature
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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