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Home > Boronic Acids > 1025719-23-6
1025719-23-6 | 1H-Pyrazole, 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-
CAS No: 1025719-23-6 Catalog No: AG0007S7 MDL No:MFCD12022323
Product Description
Catalog Number:
AG0007S7
Chemical Name:
1H-Pyrazole, 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-
CAS Number:
1025719-23-6
Molecular Formula:
C11H16BF3N2O2
Molecular Weight:
276.0631
MDL Number:
MFCD12022323
IUPAC Name:
1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyrazole
InChI:
InChI=1S/C11H16BF3N2O2/c1-9(2)10(3,4)19-12(18-9)8-6-7(11(13,14)15)16-17(8)5/h6H,1-5H3
InChI Key:
CQKAWCKCEPHXAE-UHFFFAOYSA-N
SMILES:
FC(c1cc(n(n1)C)B1OC(C(O1)(C)C)(C)C)(F)F
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.126g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.066g/mol
Monoisotopic Mass:
276.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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