Cas no 182011-09-2 (Phenol,4,5-difluoro-2,3-dimethyl-)
182011-09-2 structure
Product Name:Phenol,4,5-difluoro-2,3-dimethyl-
CAS No:182011-09-2
MF:C8H8F2O
MW:158.145329475403
CID:113763
PubChem ID:10820833
Update Time:2025-04-18
Phenol,4,5-difluoro-2,3-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Phenol,4,5-difluoro-2,3-dimethyl-
- Phenol, 4,5-difluoro-2,3-dimethyl- (9CI)
- 4,5-Difluoro-2,3-dimethylphenol
- 182011-09-2
-
- Inchi: 1S/C8H8F2O/c1-4-5(2)8(10)6(9)3-7(4)11/h3,11H,1-2H3
- InChI Key: IROZJIVUUWIDKB-UHFFFAOYSA-N
- SMILES: FC1=C(C=C(C(C)=C1C)O)F
Computed Properties
- Exact Mass: 158.05434
- Monoisotopic Mass: 158.05432120g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 140
- 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: 2.5
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23
Phenol,4,5-difluoro-2,3-dimethyl- Related Literature
-
Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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