1H-Indole-2-carboxylic acid, 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, ethyl ester - CAS 919119-62-3
Catalog: |
BB060738 |
Product Name: |
1H-Indole-2-carboxylic acid, 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, ethyl ester |
CAS: |
919119-62-3 |
Synonyms: |
ETHYL 7-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-INDOLE-2-CARBOXYLATE; (2-(Ethoxycarbonyl)-1H-indol-7-yl)boronic acid pinacol ester |
IUPAC Name: | ethyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-2-carboxylate |
Description: | 1H-Indole-2-carboxylic acid, 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, ethyl ester |
Molecular Weight: | 315.17 |
Molecular Formula: | C17H22BNO4 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=C3C(=CC=C2)C=C(N3)C(=O)OCC |
InChI: | InChI=1S/C17H22BNO4/c1-6-21-15(20)13-10-11-8-7-9-12(14(11)19-13)18-22-16(2,3)17(4,5)23-18/h7-10,19H,6H2,1-5H3 |
InChI Key: | SDNLTAKTAMYAPV-UHFFFAOYSA-N |
Complexity: | 452 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 315.1641883 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 315.1641883 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 60.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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