ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-2-carboxylate - CAS 736990-02-6
Catalog: |
BB072993 |
Product Name: |
ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-2-carboxylate |
CAS: |
736990-02-6 |
Synonyms: |
Ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-2-carboxylate; (2-(ETHOXYCARBONYL)-1H-INDOL-5-YL)BORONIC ACID PINACOL ESTER; 2-(Ethoxycarbonyl)indole-5-boronic Acid Pinacol Ester |
IUPAC Name: | ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-2-carboxylate |
Molecular Weight: | 315.17 |
Molecular Formula: | C17H22BNO4 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)NC(=C3)C(=O)OCC |
InChI: | InChI=1S/C17H22BNO4/c1-6-21-15(20)14-10-11-9-12(7-8-13(11)19-14)18-22-16(2,3)17(4,5)23-18/h7-10,19H,6H2,1-5H3 |
InChI Key: | BFNARGGMOBETDJ-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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