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Home > Boronic Acids > 1141878-45-6
1141878-45-6 | Boronic acid, B-[1-(tetrahydro-2H-pyran-2-yl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]-
CAS No: 1141878-45-6 Catalog No: AG000AR1 MDL No:MFCD17214248
Product Description
Catalog Number:
AG000AR1
Chemical Name:
Boronic acid, B-[1-(tetrahydro-2H-pyran-2-yl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]-
CAS Number:
1141878-45-6
Molecular Formula:
C9H12BF3N2O3
Molecular Weight:
264.0094
MDL Number:
MFCD17214248
IUPAC Name:
[2-(oxan-2-yl)-5-(trifluoromethyl)pyrazol-3-yl]boronic acid
InChI:
InChI=1S/C9H12BF3N2O3/c11-9(12,13)6-5-7(10(16)17)15(14-6)8-3-1-2-4-18-8/h5,8,16-17H,1-4H2
InChI Key:
IIRVABFYRULQMI-UHFFFAOYSA-N
SMILES:
OB(c1cc(nn1C1CCCCO1)C(F)(F)F)O
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.089g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
264.011g/mol
Monoisotopic Mass:
264.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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