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Home > Boronic Acids > 504437-66-5
504437-66-5 | (5S)-N-[[3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-oxo-oxazolidin-5-yl]methyl]acetamide
CAS No: 504437-66-5 Catalog No: AG00DL05 MDL No:
Product Description
Catalog Number:
AG00DL05
Chemical Name:
(5S)-N-[[3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-oxo-oxazolidin-5-yl]methyl]acetamide
CAS Number:
504437-66-5
Molecular Formula:
C18H24BFN2O5
Molecular Weight:
378.2030
IUPAC Name:
N-[[(5S)-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
InChI:
InChI=1S/C18H24BFN2O5/c1-11(23)21-9-13-10-22(16(24)25-13)12-6-7-14(15(20)8-12)19-26-17(2,3)18(4,5)27-19/h6-8,13H,9-10H2,1-5H3,(H,21,23)/t13-/m0/s1
InChI Key:
PHRADHHAKXGFDG-ZDUSSCGKSA-N
SMILES:
CC(=O)NC[C@@H]1OC(=O)N(C1)c1ccc(c(c1)F)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
586
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
378.176g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
378.207g/mol
Monoisotopic Mass:
378.176g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
77.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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