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Home > Boronic Acids > 913388-68-8
913388-68-8 | 2-BORONO-5-[2-(PIPERIDIN-1-YL)ETHOXY]-1H-INDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
CAS No: 913388-68-8 Catalog No: AG006CGB MDL No:
Product Description
Catalog Number:
AG006CGB
Chemical Name:
2-BORONO-5-[2-(PIPERIDIN-1-YL)ETHOXY]-1H-INDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
CAS Number:
913388-68-8
Molecular Formula:
C20H29BN2O5
Molecular Weight:
388.2657
IUPAC Name:
[1-[(2-methylpropan-2-yl)oxycarbonyl]-5-(2-piperidin-1-ylethoxy)indol-2-yl]boronic acid
InChI:
InChI=1S/C20H29BN2O5/c1-20(2,3)28-19(24)23-17-8-7-16(13-15(17)14-18(23)21(25)26)27-12-11-22-9-5-4-6-10-22/h7-8,13-14,25-26H,4-6,9-12H2,1-3H3
InChI Key:
VNMLTLGNTFIWHU-UHFFFAOYSA-N
SMILES:
OB(c1cc2c(n1C(=O)OC(C)(C)C)ccc(c2)OCCN1CCCCC1)O
Properties
Complexity:
521
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.217g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
388.271g/mol
Monoisotopic Mass:
388.217g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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