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Home > Boronic Acids > 1355221-17-8
1355221-17-8 | 5-methoxy-1-tosyl-7-azaindole-3-boronic acid pinacol ester
CAS No: 1355221-17-8 Catalog No: AG00HU77 MDL No:
Product Description
Catalog Number:
AG00HU77
Chemical Name:
5-methoxy-1-tosyl-7-azaindole-3-boronic acid pinacol ester
CAS Number:
1355221-17-8
Molecular Formula:
C21H25BN2O5S
Molecular Weight:
428.3096
IUPAC Name:
5-methoxy-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C21H25BN2O5S/c1-14-7-9-16(10-8-14)30(25,26)24-13-18(17-11-15(27-6)12-23-19(17)24)22-28-20(2,3)21(4,5)29-22/h7-13H,1-6H3
InChI Key:
GCLNTNSBJBMSNG-UHFFFAOYSA-N
SMILES:
COc1cnc2c(c1)c(cn2S(=O)(=O)c1ccc(cc1)C)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
716
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
428.158g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
428.31g/mol
Monoisotopic Mass:
428.158g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
88A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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