Cas no 117358-53-9 (Benzene,1,3-difluoro-5-(1-methylethyl)-)
117358-53-9 structure
Product Name:Benzene,1,3-difluoro-5-(1-methylethyl)-
CAS No:117358-53-9
MF:C9H10F2
MW:156.172509670258
CID:132724
PubChem ID:22087479
Update Time:2025-04-19
Benzene,1,3-difluoro-5-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,1,3-difluoro-5-(1-methylethyl)-
- 1,3-difluoro-5-propan-2-ylbenzene
- Benzene, 1,3-difluoro-5-(1-methylethyl)- (9CI)
- 117358-53-9
- 1,3-Difluoro-5-Isopropyl-Benzene
- SCHEMBL84481
- 1,3-DIFLUORO-5-ISOPROPYLBENZENE
- 1,3-Difluoro-5-(propan-2-yl)benzene
- DTXSID50622357
- GS2648
-
- Inchi： 1S/C9H10F2/c1-6(2)7-3-8(10)5-9(11)4-7/h3-6H,1-2H3
- InChI Key： DBJPSXMQULNSML-UHFFFAOYSA-N
- SMILES： FC1C=C(C=C(C=1)C(C)C)F
Computed Properties
- Exact Mass: 156.0751
- Monoisotopic Mass: 156.07505664g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 113
- 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: 3.2
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
Benzene,1,3-difluoro-5-(1-methylethyl)- Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
117358-53-9 (Benzene,1,3-difluoro-5-(1-methylethyl)-) Related Products
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