1-N-Ethoxycarbonyl-indazole-5-boronic acid pinacol ester - CAS 947191-19-7
Catalog: |
BB065946 |
Product Name: |
1-N-Ethoxycarbonyl-indazole-5-boronic acid pinacol ester |
CAS: |
947191-19-7 |
Synonyms: |
ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole-3-carboxylate; 1H-Indazole-3-carboxylic acid, 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, ethyl ester |
IUPAC Name: | ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole-3-carboxylate |
Description: | 1-N-Ethoxycarbonyl-indazole-5-boronic acid pinacol ester |
Molecular Weight: | 316.16 |
Molecular Formula: | C16H21BN2O4 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)NN=C3C(=O)OCC |
InChI: | InChI=1S/C16H21BN2O4/c1-6-21-14(20)13-11-9-10(7-8-12(11)18-19-13)17-22-15(2,3)16(4,5)23-17/h7-9H,6H2,1-5H3,(H,18,19) |
InChI Key: | WGBOIRLHBDFLAS-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 455 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 316.1594373 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 316.1594373 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 73.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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