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Home > Boronic Acids > 2095495-27-3
2095495-27-3 | tert-butyl 6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-3-azabicyclo[4.1.0]heptane-3-carboxylate
CAS No: 2095495-27-3 Catalog No: AG01EL0F MDL No:MFCD31556360
Product Description
Catalog Number:
AG01EL0F
Chemical Name:
tert-butyl 6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-3-azabicyclo[4.1.0]heptane-3-carboxylate
CAS Number:
2095495-27-3
Molecular Formula:
C17H30BNO4
Molecular Weight:
323.2354
MDL Number:
MFCD31556360
IUPAC Name:
tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-azabicyclo[4.1.0]heptane-3-carboxylate
InChI:
InChI=1S/C17H30BNO4/c1-14(2,3)21-13(20)19-9-8-17(10-12(17)11-19)18-22-15(4,5)16(6,7)23-18/h12H,8-11H2,1-7H3
InChI Key:
GBFVHJWDNSZUNB-UHFFFAOYSA-N
SMILES:
O=C(N1CCC2(C(C1)C2)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Properties
Complexity:
497
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.227g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.24g/mol
Monoisotopic Mass:
323.227g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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