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Home > Boronic Acids > 1505515-91-2
1505515-91-2 | tert-butyl 3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)azetidine-1-carboxylate
CAS No: 1505515-91-2 Catalog No: AG01DVFO MDL No:MFCD22683476
Product Description
Catalog Number:
AG01DVFO
Chemical Name:
tert-butyl 3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)azetidine-1-carboxylate
CAS Number:
1505515-91-2
Molecular Formula:
C20H30BNO5
Molecular Weight:
375.2669
MDL Number:
MFCD22683476
IUPAC Name:
tert-butyl 3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]azetidine-1-carboxylate
InChI:
InChI=1S/C20H30BNO5/c1-18(2,3)25-17(23)22-12-16(13-22)24-15-10-8-14(9-11-15)21-26-19(4,5)20(6,7)27-21/h8-11,16H,12-13H2,1-7H3
InChI Key:
OQOYMXJORZTQKS-UHFFFAOYSA-N
SMILES:
O=C(N1CC(C1)Oc1ccc(cc1)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Properties
Complexity:
529
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.222g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
375.272g/mol
Monoisotopic Mass:
375.222g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
57.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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