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Home > Boronic Acids > 1346665-27-7
1346665-27-7 | 2-Ethyl-5-(trifluoroMethyl)pyrazole-3-boronic acid
CAS No: 1346665-27-7 Catalog No: AG009WUR MDL No:MFCD23135908
Product Description
Catalog Number:
AG009WUR
Chemical Name:
2-Ethyl-5-(trifluoroMethyl)pyrazole-3-boronic acid
CAS Number:
1346665-27-7
Molecular Formula:
C6H8BF3N2O2
Molecular Weight:
207.9461
MDL Number:
MFCD23135908
IUPAC Name:
[2-ethyl-5-(trifluoromethyl)pyrazol-3-yl]boronic acid
InChI:
InChI=1S/C6H8BF3N2O2/c1-2-12-5(7(13)14)3-4(11-12)6(8,9)10/h3,13-14H,2H2,1H3
InChI Key:
ZTZOXIFXHVHNBB-UHFFFAOYSA-N
SMILES:
CCn1nc(cc1B(O)O)C(F)(F)F
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.063g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
207.947g/mol
Monoisotopic Mass:
208.063g/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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