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Home > Boronic Acids > 868662-36-6
868662-36-6 | 2-Trifluoromethyl-5-Pyridineboronic Acid
CAS No: 868662-36-6 Catalog No: AG0033G2 MDL No:MFCD07375381
Product Description
Catalog Number:
AG0033G2
Chemical Name:
2-Trifluoromethyl-5-Pyridineboronic Acid
CAS Number:
868662-36-6
Molecular Formula:
C6H5BF3NO2
Molecular Weight:
190.9156
MDL Number:
MFCD07375381
IUPAC Name:
[6-(trifluoromethyl)pyridin-3-yl]boronic acid
InChI:
InChI=1S/C6H5BF3NO2/c8-6(9,10)5-2-1-4(3-11-5)7(12)13/h1-3,12-13H
InChI Key:
BNTIPMNMTIAWIW-UHFFFAOYSA-N
SMILES:
OB(c1ccc(nc1)C(F)(F)F)O
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.037g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
190.916g/mol
Monoisotopic Mass:
191.037g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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