CAS
276694-16-7 Purity
98%
276694-16-7 Purity
98%
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3-Trifluoromethyl-1H-pyrazole-4-boronic acid pinacol ester
CAS
1218790-40-9
Catalog Number
ACM1218790409-1
Category
Other
Molecular Weight
262.04g/mol
Molecular Formula
C10H14BF3N2O2
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Specification
IUPAC Name
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)-1H-pyrazole
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(NN=C2)C(F)(F)F
InChI
InChI=1S/C10H14BF3N2O2/c1-8(2)9(3,4)18-11(17-8)6-5-15-16-7(6)10(12,13)14/h5H,1-4H3,(H,15,16)
InChI Key
WHYPQJYBTNZKBY-UHFFFAOYSA-N
Complexity
320
Covalently-Bonded Unit Count
1
Exact Mass
262.110042g/mol
Formal Charge
0
H-Bond Acceptor
6
H-Bond Donor
1
Heavy Atom Count
18
Monoisotopic Mass
262.110042g/mol
Rotatable Bond Count
1
Downstream Synthesis Route 1
- 5305-59-9
- 1218790-40-9
- 1263400-56-1
Reference: [1]Current Patent Assignee: IRM LLC - WO2011/14515, 2011, A1
Location in patent: Page/Page column 116
Downstream Synthesis Route 2
- 1218790-40-9
- 1282518-61-9
- 1401304-23-1
Reference: [1]Current Patent Assignee: ROCHE HOLDING AG - US2012/245144, 2012, A1
Location in patent: Page/Page column 150
* For details of the synthesis route, please refer to the original source to ensure accuracy.
Please kindly note that our products are for research use only.
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