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Home > Boronic Acids > 877399-35-4
877399-35-4 | 1-Azetidinecarboxylic acid,3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]-,1,1-dimethylethyl ester
CAS No: 877399-35-4 Catalog No: AG00IER3 MDL No:MFCD18383285
Product Description
Catalog Number:
AG00IER3
Chemical Name:
1-Azetidinecarboxylic acid,3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]-,1,1-dimethylethyl ester
CAS Number:
877399-35-4
Molecular Formula:
C17H28BN3O4
Molecular Weight:
349.2329
MDL Number:
MFCD18383285
IUPAC Name:
tert-butyl 3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]azetidine-1-carboxylate
InChI:
InChI=1S/C17H28BN3O4/c1-15(2,3)23-14(22)20-10-13(11-20)21-9-12(8-19-21)18-24-16(4,5)17(6,7)25-18/h8-9,13H,10-11H2,1-7H3
InChI Key:
JGJAAWHJOWNRBD-UHFFFAOYSA-N
SMILES:
O=C(N1CC(C1)n1ncc(c1)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Properties
Complexity:
513
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.217g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
349.238g/mol
Monoisotopic Mass:
349.217g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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