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Home > Boronic Acids > 1218790-26-1
1218790-26-1 | 1H-Indole-1-carboxylic acid, 7-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester
CAS No: 1218790-26-1 Catalog No: AG001691 MDL No:MFCD14155739
Product Description
Catalog Number:
AG001691
Chemical Name:
1H-Indole-1-carboxylic acid, 7-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester
CAS Number:
1218790-26-1
Molecular Formula:
C20H28BNO5
Molecular Weight:
373.2510
MDL Number:
MFCD14155739
IUPAC Name:
tert-butyl 7-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-1-carboxylate
InChI:
InChI=1S/C20H28BNO5/c1-18(2,3)25-17(23)22-12-14(13-10-9-11-15(24-8)16(13)22)21-26-19(4,5)20(6,7)27-21/h9-12H,1-8H3
InChI Key:
GXVNJKPEAWTIRL-UHFFFAOYSA-N
SMILES:
COc1cccc2c1n(cc2B1OC(C(O1)(C)C)(C)C)C(=O)OC(C)(C)C
Properties
Complexity:
557
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.206g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
373.256g/mol
Monoisotopic Mass:
373.206g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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