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Home > Boronic Acids > 1684433-60-0
1684433-60-0 | 1-Boc-3-trifluoromethylpyrazole-5-boronic acid
CAS No: 1684433-60-0 Catalog No: AG00HZ8F MDL No:MFCD17214177
Product Description
Catalog Number:
AG00HZ8F
Chemical Name:
1-Boc-3-trifluoromethylpyrazole-5-boronic acid
CAS Number:
1684433-60-0
Molecular Formula:
C9H12BF3N2O4
Molecular Weight:
280.0088
MDL Number:
MFCD17214177
IUPAC Name:
[2-[(2-methylpropan-2-yl)oxycarbonyl]-5-(trifluoromethyl)pyrazol-3-yl]boronic acid
InChI:
InChI=1S/C9H12BF3N2O4/c1-8(2,3)19-7(16)15-6(10(17)18)4-5(14-15)9(11,12)13/h4,17-18H,1-3H3
InChI Key:
BOZJABNIBRHQGY-UHFFFAOYSA-N
SMILES:
OB(c1cc(nn1C(=O)OC(C)(C)C)C(F)(F)F)O
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.084g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
280.01g/mol
Monoisotopic Mass:
280.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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