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Home > Boronic Acids > 1227700-48-2
1227700-48-2 | 4-(Trifluoromethyl)pyridinyl-2-boronic acid mida ester
CAS No: 1227700-48-2 Catalog No: AG00HGYF MDL No:
Product Description
Catalog Number:
AG00HGYF
Chemical Name:
4-(Trifluoromethyl)pyridinyl-2-boronic acid mida ester
CAS Number:
1227700-48-2
IUPAC Name:
5-methyl-1-[4-(trifluoromethyl)pyridin-2-yl]-2,8-dioxa-5-azonia-1-boranuidabicyclo[3.3.0]octane-3,7-dione
InChI:
InChI=1S/C11H10BF3N2O4/c1-17-5-9(18)20-12(17,21-10(19)6-17)8-4-7(2-3-16-8)11(13,14)15/h2-4H,5-6H2,1H3
InChI Key:
DLIDRBHWXWJXDT-UHFFFAOYSA-N
Properties
Complexity:
478
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:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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