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Home > Boronic Acids > 1138450-30-2
1138450-30-2 | Boronic acid, B-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-
CAS No: 1138450-30-2 Catalog No: AG0009VA MDL No:MFCD13619875
Product Description
Catalog Number:
AG0009VA
Chemical Name:
Boronic acid, B-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-
CAS Number:
1138450-30-2
Molecular Formula:
C5H6BF3N2O2
Molecular Weight:
193.9195
MDL Number:
MFCD13619875
IUPAC Name:
[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]boronic acid
InChI:
InChI=1S/C5H6BF3N2O2/c1-11-2-3(6(12)13)4(10-11)5(7,8)9/h2,12-13H,1H3
InChI Key:
CVTMJOHFLLGAIA-UHFFFAOYSA-N
SMILES:
Cn1cc(c(n1)C(F)(F)F)B(O)O
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.047g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
193.92g/mol
Monoisotopic Mass:
194.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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