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Home > Boronic Acids > 1309981-29-0
1309981-29-0 | Carbamic acid, N-[5-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-, 1,1-dimethylethyl ester
CAS No: 1309981-29-0 Catalog No: AG000V90 MDL No:MFCD08063058
Product Description
Catalog Number:
AG000V90
Chemical Name:
Carbamic acid, N-[5-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-, 1,1-dimethylethyl ester
CAS Number:
1309981-29-0
Molecular Formula:
C16H24BFN2O4
Molecular Weight:
338.1822
MDL Number:
MFCD08063058
IUPAC Name:
tert-butyl N-[5-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]carbamate
InChI:
InChI=1S/C16H24BFN2O4/c1-14(2,3)22-13(21)20-12-11(8-10(18)9-19-12)17-23-15(4,5)16(6,7)24-17/h8-9H,1-7H3,(H,19,20,21)
InChI Key:
ZDMKDMKSPFFLNM-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1ncc(cc1B1OC(C(O1)(C)C)(C)C)F
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.181g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
338.186g/mol
Monoisotopic Mass:
338.181g/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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