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Home > Boronic Acids > 1361380-69-9
1361380-69-9 | 1-isopropyl-3-(trifluoroMethyl)pyrazole-5-boronic acid
CAS No: 1361380-69-9 Catalog No: AG009WUZ MDL No:MFCD24448764
Product Description
Catalog Number:
AG009WUZ
Chemical Name:
1-isopropyl-3-(trifluoroMethyl)pyrazole-5-boronic acid
CAS Number:
1361380-69-9
Molecular Formula:
C7H10BF3N2O2
Molecular Weight:
221.9727
MDL Number:
MFCD24448764
IUPAC Name:
[2-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]boronic acid
InChI:
InChI=1S/C7H10BF3N2O2/c1-4(2)13-6(8(14)15)3-5(12-13)7(9,10)11/h3-4,14-15H,1-2H3
InChI Key:
BRTYYHMOCKZIPM-UHFFFAOYSA-N
SMILES:
OB(c1cc(nn1C(C)C)C(F)(F)F)O
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
221.974g/mol
Monoisotopic Mass:
222.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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