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Home > Boronic Acids > 1802736-35-1
1802736-35-1 | 6-methyl-2-[5-(trifluoromethyl)pyridin-2-yl]-1,3,6,2-dioxazaborocane-4,8-dione
CAS No: 1802736-35-1 Catalog No: AG01AFM3 MDL No:MFCD18909190
Product Description
Catalog Number:
AG01AFM3
Chemical Name:
6-methyl-2-[5-(trifluoromethyl)pyridin-2-yl]-1,3,6,2-dioxazaborocane-4,8-dione
CAS Number:
1802736-35-1
Molecular Formula:
C11H10BF3N2O4
Molecular Weight:
302.0143
MDL Number:
MFCD18909190
IUPAC Name:
6-methyl-2-[5-(trifluoromethyl)pyridin-2-yl]-1,3,6,2-dioxazaborocane-4,8-dione
InChI:
InChI=1S/C11H10BF3N2O4/c1-17-5-9(18)20-12(21-10(19)6-17)8-3-2-7(4-16-8)11(13,14)15/h2-4H,5-6H2,1H3
InChI Key:
QFNWEZKEFLNTHZ-UHFFFAOYSA-N
SMILES:
CN1CC(=O)OB(OC(=O)C1)c1ccc(cn1)C(F)(F)F
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.069g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.016g/mol
Monoisotopic Mass:
302.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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