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Home > Boronic Acids > 1396750-11-0
1396750-11-0 | 5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-1H-pyrazole
CAS No: 1396750-11-0 Catalog No: AG01BXWC MDL No:MFCD18250602
Product Description
Catalog Number:
AG01BXWC
Chemical Name:
5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-1H-pyrazole
CAS Number:
1396750-11-0
Molecular Formula:
C10H14BF3N2O2
Molecular Weight:
262.0366
MDL Number:
MFCD18250602
IUPAC Name:
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-1H-pyrazole
InChI:
InChI=1S/C10H14BF3N2O2/c1-8(2)9(3,4)18-11(17-8)7-6(5-15-16-7)10(12,13)14/h5H,1-4H3,(H,15,16)
InChI Key:
QPTLCZZVVPRCIU-UHFFFAOYSA-N
SMILES:
FC(c1cn[nH]c1B1OC(C(O1)(C)C)(C)C)(F)F
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.11g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.039g/mol
Monoisotopic Mass:
262.11g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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