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Home > Boronic Acids > 1162257-58-0
1162257-58-0 | Boronic acid, B-[5-(trifluoromethyl)-2-pyridinyl]-
CAS No: 1162257-58-0 Catalog No: AG000BZ2 MDL No:MFCD06227445
Product Description
Catalog Number:
AG000BZ2
Chemical Name:
Boronic acid, B-[5-(trifluoromethyl)-2-pyridinyl]-
CAS Number:
1162257-58-0
Molecular Formula:
C6H5BF3NO2
Molecular Weight:
190.9156
MDL Number:
MFCD06227445
IUPAC Name:
[5-(trifluoromethyl)pyridin-2-yl]boronic acid
InChI:
InChI=1S/C6H5BF3NO2/c8-6(9,10)4-1-2-5(7(12)13)11-3-4/h1-3,12-13H
InChI Key:
QGHRRKVXTZBZFZ-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cn1)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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