Cas no 1321-23-9 (Chloroxylenol)
Chloroxylenol structure
Product Name:Chloroxylenol
Chloroxylenol Chemical and Physical Properties
Names and Identifiers
-
- Chloroxylenol
- Chlorodimethylphenol,mixtureofisomers
- Chloroxylenol,isomer mixture
- Chloroxylenols
- Phenol,chlorodimethyl
- Phenol, chlorodimethyl-
- Chloroxylenol, isomer mixture
-
- Inchi： 1S/C8H9ClO/c1-5-6(2)8(10)4-3-7(5)9/h3-4,10H,1-2H3
- InChI Key： CFCVHJRJEWDVOG-UHFFFAOYSA-N
- SMILES： ClC1=CC=C(C(C)=C1C)O
Computed Properties
- Exact Mass: 156.03400
- Monoisotopic Mass: 156.0341926g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 116
- 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: 2.2
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23000
- LogP: 2.66240
Chloroxylenol Related Literature
-
J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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