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Home > Boronic Acids > 942070-47-5

942070-47-5

942070-47-5 | tert-Butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine-1-carboxylate

CAS No: 942070-47-5 Catalog No: AG005SN1 MDL No:MFCD11855974

Product Description

Catalog Number:
AG005SN1
Chemical Name:
tert-Butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
CAS Number:
942070-47-5
Molecular Formula:
C18H25BN2O4
Molecular Weight:
344.2131
MDL Number:
MFCD11855974
IUPAC Name:
tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate
InChI:
InChI=1S/C18H25BN2O4/c1-16(2,3)23-15(22)21-11-13(12-9-8-10-20-14(12)21)19-24-17(4,5)18(6,7)25-19/h8-11H,1-7H3
InChI Key:
FWSVXYOMGFESAP-UHFFFAOYSA-N
SMILES:
O=C(n1cc(c2c1nccc2)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C

Properties

Complexity:
516  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.191g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
344.218g/mol
Monoisotopic Mass:
344.191g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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