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Home > Boronic Acids > 1333319-46-2
1333319-46-2 | Carbamic acid, N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-, 1,1-dimethylethyl ester
CAS No: 1333319-46-2 Catalog No: AG0014OP MDL No:
Product Description
Catalog Number:
AG0014OP
Chemical Name:
Carbamic acid, N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-, 1,1-dimethylethyl ester
CAS Number:
1333319-46-2
Molecular Formula:
C17H24BF3N2O4
Molecular Weight:
388.1897
IUPAC Name:
tert-butyl N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-yl]carbamate
InChI:
InChI=1S/C17H24BF3N2O4/c1-14(2,3)25-13(24)23-12-8-10(17(19,20)21)11(9-22-12)18-26-15(4,5)16(6,7)27-18/h8-9H,1-7H3,(H,22,23,24)
InChI Key:
MUWJHFINIWHUSM-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1ncc(c(c1)C(F)(F)F)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
547
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.178g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
388.194g/mol
Monoisotopic Mass:
388.178g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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