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Home > Boronic Acids > 885226-07-3
885226-07-3 | 2-(2,5-Dimethyl-1H-pyrrol-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CAS No: 885226-07-3 Catalog No: AG003APQ MDL No:
Product Description
Catalog Number:
AG003APQ
Chemical Name:
2-(2,5-Dimethyl-1H-pyrrol-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CAS Number:
885226-07-3
Molecular Formula:
C17H23BN2O2
Molecular Weight:
298.1877
IUPAC Name:
2-(2,5-dimethylpyrrol-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
InChI:
InChI=1S/C17H23BN2O2/c1-12-7-8-13(2)20(12)15-10-9-14(11-19-15)18-21-16(3,4)17(5,6)22-18/h7-11H,1-6H3
InChI Key:
UWYAQNLLLBRAHQ-UHFFFAOYSA-N
SMILES:
Cc1ccc(n1c1ccc(cn1)B1OC(C(O1)(C)C)(C)C)C
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.185g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.193g/mol
Monoisotopic Mass:
298.185g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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