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Home > Boronic Acids > 1218791-10-6
1218791-10-6 | 1H-Indole-1-carboxylic acid, 6-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester
CAS No: 1218791-10-6 Catalog No: AG0016AY MDL No:MFCD15143591
Product Description
Catalog Number:
AG0016AY
Chemical Name:
1H-Indole-1-carboxylic acid, 6-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester
CAS Number:
1218791-10-6
Molecular Formula:
C20H28BNO4
Molecular Weight:
357.2516
MDL Number:
MFCD15143591
IUPAC Name:
tert-butyl 6-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-1-carboxylate
InChI:
InChI=1S/C20H28BNO4/c1-13-9-10-14-12-16(21-25-19(5,6)20(7,8)26-21)22(15(14)11-13)17(23)24-18(2,3)4/h9-12H,1-8H3
InChI Key:
DLJSHMNWOLUBTQ-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)n(C(=O)OC(C)(C)C)c(c2)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
541
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.211g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
357.257g/mol
Monoisotopic Mass:
357.211g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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