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Home > Boronic Acids > 850568-52-4
850568-52-4 | (4-(Benzyloxy)-1-(tert-butoxycarbonyl)-1H-indol-2-yl)boronic acid
CAS No: 850568-52-4 Catalog No: AG008GTC MDL No:MFCD04973739
Product Description
Catalog Number:
AG008GTC
Chemical Name:
(4-(Benzyloxy)-1-(tert-butoxycarbonyl)-1H-indol-2-yl)boronic acid
CAS Number:
850568-52-4
Molecular Formula:
C20H22BNO5
Molecular Weight:
367.2034
MDL Number:
MFCD04973739
IUPAC Name:
[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylmethoxyindol-2-yl]boronic acid
InChI:
InChI=1S/C20H22BNO5/c1-20(2,3)27-19(23)22-16-10-7-11-17(15(16)12-18(22)21(24)25)26-13-14-8-5-4-6-9-14/h4-12,24-25H,13H2,1-3H3
InChI Key:
YXJBIADEQVCONT-UHFFFAOYSA-N
SMILES:
OB(c1cc2c(n1C(=O)OC(C)(C)C)cccc2OCc1ccccc1)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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