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Home > Boronic Acids > 1310405-07-2
1310405-07-2 | Carbamic acid, N-[2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-, 1,1-dimethylethyl ester
CAS No: 1310405-07-2 Catalog No: AG000VFT MDL No:MFCD08063061
Product Description
Catalog Number:
AG000VFT
Chemical Name:
Carbamic acid, N-[2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-, 1,1-dimethylethyl ester
CAS Number:
1310405-07-2
Molecular Formula:
C16H24BFN2O4
Molecular Weight:
338.1822
MDL Number:
MFCD08063061
IUPAC Name:
tert-butyl N-[2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]carbamate
InChI:
InChI=1S/C16H24BFN2O4/c1-14(2,3)22-13(21)20-11-8-10(9-19-12(11)18)17-23-15(4,5)16(6,7)24-17/h8-9H,1-7H3,(H,20,21)
InChI Key:
WDSXXXQAKHAZAY-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1cc(cnc1F)B1OC(C(O1)(C)C)(C)C
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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