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Home > Boronic Acids > 850568-66-0
850568-66-0 | (6-(Benzyloxy)-1-(tert-butoxycarbonyl)-1H-indol-2-yl)boronic acid
CAS No: 850568-66-0 Catalog No: AG004S9O MDL No:MFCD06659831
Product Description
Catalog Number:
AG004S9O
Chemical Name:
(6-(Benzyloxy)-1-(tert-butoxycarbonyl)-1H-indol-2-yl)boronic acid
CAS Number:
850568-66-0
Molecular Formula:
C20H22BNO5
Molecular Weight:
367.2034
MDL Number:
MFCD06659831
IUPAC Name:
[1-[(2-methylpropan-2-yl)oxycarbonyl]-6-phenylmethoxyindol-2-yl]boronic acid
InChI:
InChI=1S/C20H22BNO5/c1-20(2,3)27-19(23)22-17-12-16(26-13-14-7-5-4-6-8-14)10-9-15(17)11-18(22)21(24)25/h4-12,24-25H,13H2,1-3H3
InChI Key:
OGONSJPAZMVGTG-UHFFFAOYSA-N
SMILES:
OB(c1cc2c(n1C(=O)OC(C)(C)C)cc(cc2)OCc1ccccc1)O
Properties
Complexity:
503
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.159g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
367.208g/mol
Monoisotopic Mass:
367.159g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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