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Home > Boronic Acids > 344591-91-9
344591-91-9 | Boronic acid, [1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-
CAS No: 344591-91-9 Catalog No: AG00I6T5 MDL No:MFCD08701785
Product Description
Catalog Number:
AG00I6T5
Chemical Name:
Boronic acid, [1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-
CAS Number:
344591-91-9
Molecular Formula:
C5H6BF3N2O2
Molecular Weight:
193.9195
MDL Number:
MFCD08701785
IUPAC Name:
[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]boronic acid
InChI:
InChI=1S/C5H6BF3N2O2/c1-11-4(6(12)13)2-3(10-11)5(7,8)9/h2,12-13H,1H3
InChI Key:
XPUNXPPXMANQGF-UHFFFAOYSA-N
SMILES:
OB(c1cc(nn1C)C(F)(F)F)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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