Cas no 1140438-96-5 (2,4,6-Trifluoro-3-methylphenylboronic acid)
1140438-96-5 structure
Product Name:2,4,6-Trifluoro-3-methylphenylboronic acid
CAS No:1140438-96-5
MF:C7H6BF3O2
MW:189.927552700043
CID:2194080
Update Time:2023-08-07
2,4,6-Trifluoro-3-methylphenylboronic acid Chemical and Physical Properties
Names and Identifiers
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- 2,4,6-Trifluoro-3-methylphenylboronic acid
- (2,4,6-trifluoro-3-methylphenyl)boronic acid
- FCH874317
-
- Inchi： 1S/C7H6BF3O2/c1-3-4(9)2-5(10)6(7(3)11)8(12)13/h2,12-13H,1H3
- InChI Key： ATGZNBFLYKFGLK-UHFFFAOYSA-N
- SMILES： FC1C(B(O)O)=C(C=C(C=1C)F)F
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 181
- Topological Polar Surface Area: 40.5
2,4,6-Trifluoro-3-methylphenylboronic acid Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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