Home Boronic acids 4-Trifluoromethyl-pyridine-3-boronic acid

4-Trifluoromethyl-pyridine-3-boronic acid

CAS No.:
947533-41-7
Catalog Number:
AG00IIIJ
Molecular Formula:
C6H5BF3NO2
Molecular Weight:
190.9156
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Product Description
Catalog Number:
AG00IIIJ
Chemical Name:
4-Trifluoromethyl-pyridine-3-boronic acid
CAS Number:
947533-41-7
Molecular Formula:
C6H5BF3NO2
Molecular Weight:
190.9156
MDL Number:
MFCD07374978
IUPAC Name:
[4-(trifluoromethyl)pyridin-3-yl]boronic acid
InChI:
InChI=1S/C6H5BF3NO2/c8-6(9,10)4-1-2-11-3-5(4)7(12)13/h1-3,12-13H
InChI Key:
GPOLKFXETWUREM-UHFFFAOYSA-N
SMILES:
OB(c1cnccc1C(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
Properties