Cas no 116850-30-7 (Benzene, 1-chloro-2-fluoro-4,5-dimethyl-)
116850-30-7 structure
Product Name:Benzene, 1-chloro-2-fluoro-4,5-dimethyl-
CAS No:116850-30-7
MF:C8H8ClF
MW:158.600524902344
CID:3652424
PubChem ID:14227795
Update Time:2025-04-22
Benzene, 1-chloro-2-fluoro-4,5-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-chloro-2-fluoro-4,5-dimethyl-
- 1-Chloro-4,5-dimethyl-2-fluorobenzene
- 116850-30-7
- SCHEMBL3874093
-
- Inchi： 1S/C8H8ClF/c1-5-3-7(9)8(10)4-6(5)2/h3-4H,1-2H3
- InChI Key： QQUAVMQWIBHZTL-UHFFFAOYSA-N
- SMILES： ClC1C(=CC(C)=C(C)C=1)F
Computed Properties
- Exact Mass: 158.0298561g/mol
- Monoisotopic Mass: 158.0298561g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- 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: 3.4
- Topological Polar Surface Area: 0?2
Benzene, 1-chloro-2-fluoro-4,5-dimethyl- Related Literature
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1. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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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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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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