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Home > Boronic Acids > 1049730-42-8
1049730-42-8 | 4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1-(2,2,2-trifluoroethyl)-1H-pyrazole
CAS No: 1049730-42-8 Catalog No: AG0095EJ MDL No:MFCD18383264
Product Description
Catalog Number:
AG0095EJ
Chemical Name:
4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1-(2,2,2-trifluoroethyl)-1H-pyrazole
CAS Number:
1049730-42-8
Molecular Formula:
C11H16BF3N2O2
Molecular Weight:
276.0631
MDL Number:
MFCD18383264
IUPAC Name:
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2,2,2-trifluoroethyl)pyrazole
InChI:
InChI=1S/C11H16BF3N2O2/c1-9(2)10(3,4)19-12(18-9)8-5-16-17(6-8)7-11(13,14)15/h5-6H,7H2,1-4H3
InChI Key:
VWPXSWMYEMPJGB-UHFFFAOYSA-N
SMILES:
FC(Cn1ncc(c1)B1OC(C(O1)(C)C)(C)C)(F)F
Properties
Complexity:
333
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:
2
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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