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Home > Boronic Acids > 1889221-03-7
1889221-03-7 | 3-Methyl-2-trifluoromethylpyridine-5-boronic acid
CAS No: 1889221-03-7 Catalog No: AG003AT2 MDL No:MFCD22491393
Product Description
Catalog Number:
AG003AT2
Chemical Name:
3-Methyl-2-trifluoromethylpyridine-5-boronic acid
CAS Number:
1889221-03-7
Molecular Formula:
C7H7BF3NO2
Molecular Weight:
204.9422
MDL Number:
MFCD22491393
IUPAC Name:
[5-methyl-6-(trifluoromethyl)pyridin-3-yl]boronic acid
InChI:
InChI=1S/C7H7BF3NO2/c1-4-2-5(8(13)14)3-12-6(4)7(9,10)11/h2-3,13-14H,1H3
InChI Key:
WALYHQGLFGHGQF-UHFFFAOYSA-N
SMILES:
OB(c1cnc(c(c1)C)C(F)(F)F)O
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.052g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
204.943g/mol
Monoisotopic Mass:
205.052g/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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