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942070-54-4 | t-Butyl 3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrrolo[2,3-b]pyridine-1-carboxylate95%
CAS No: 942070-54-4 Catalog No: AG00H2TX MDL No:MFCD12407267
Product Description
Catalog Number:
AG00H2TX
Chemical Name:
t-Butyl 3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrrolo[2,3-b]pyridine-1-carboxylate95%
CAS Number:
942070-54-4
Molecular Formula:
C24H36B2N2O6
Molecular Weight:
470.1744
MDL Number:
MFCD12407267
IUPAC Name:
tert-butyl 3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate
InChI:
InChI=1S/C24H36B2N2O6/c1-20(2,3)30-19(29)28-14-17(26-33-23(8,9)24(10,11)34-26)16-12-15(13-27-18(16)28)25-31-21(4,5)22(6,7)32-25/h12-14H,1-11H3
InChI Key:
FPUMXGFVYQHELH-UHFFFAOYSA-N
SMILES:
O=C(n1cc(c2c1ncc(c2)B1OC(C(O1)(C)C)(C)C)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Properties
Complexity:
780
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
470.276g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
470.18g/mol
Monoisotopic Mass:
470.276g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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