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Home > Boronic Acids > 913388-70-2
913388-70-2 | 1H-Indole-1-carboxylic acid, 2-borono-5-[[4-[2-[[(1,1-dimethylethyl)dimethylsilyl]oxy]ethyl]-1-piper
CAS No: 913388-70-2 Catalog No: AG00IGLS MDL No:
Product Description
Catalog Number:
AG00IGLS
Chemical Name:
1H-Indole-1-carboxylic acid, 2-borono-5-[[4-[2-[[(1,1-dimethylethyl)dimethylsilyl]oxy]ethyl]-1-piper
CAS Number:
913388-70-2
IUPAC Name:
[5-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazin-1-yl]methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
InChI:
InChI=1S/C26H44BN3O5Si/c1-25(2,3)35-24(31)30-22-10-9-20(17-21(22)18-23(30)27(32)33)19-29-13-11-28(12-14-29)15-16-34-36(7,8)26(4,5)6/h9-10,17-18,32-33H,11-16,19H2,1-8H3
InChI Key:
OTJJVYYKCIQDDH-UHFFFAOYSA-N
Properties
Complexity:
734
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
517.314g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
517.549g/mol
Monoisotopic Mass:
517.314g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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