1,3-Dihydroisobenzofuran-5-boronic Acid Pinacol Ester - CAS 1352037-60-5
Catalog: |
BB008096 |
Product Name: |
1,3-Dihydroisobenzofuran-5-boronic Acid Pinacol Ester |
CAS: |
1352037-60-5 |
Synonyms: |
2-(1,3-dihydroisobenzofuran-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-(1,3-dihydro-2-benzofuran-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
IUPAC Name: | 2-(1,3-dihydro-2-benzofuran-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
Description: | 1,3-Dihydroisobenzofuran-5-boronic Acid Pinacol Ester (CAS# 1352037-60-5 ) is a useful research chemical. |
Molecular Weight: | 246.11 |
Molecular Formula: | C14H19O3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(COC3)C=C2 |
InChI: | InChI=1S/C14H19BO3/c1-13(2)14(3,4)18-15(17-13)12-6-5-10-8-16-9-11(10)7-12/h5-7H,8-9H2,1-4H3 |
InChI Key: | JHDYIHQRIANGLR-UHFFFAOYSA-N |
LogP: | 2.01600 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2019322655-A1 | Novel triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same | 20180321 |
CN-111886233-A | Novel triazolone derivative or salt thereof and pharmaceutical composition comprising the same | 20180321 |
KR-20200124759-A | Novel triazolone derivative or salt thereof, and pharmaceutical composition comprising the same | 20180321 |
US-10995086-B2 | Triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same | 20180321 |
JP-2021518384-A | A novel triazolone derivative or a salt thereof, and a pharmaceutical composition containing these. | 20180321 |
Complexity: | 313 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 246.1427246 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 246.1427246 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 27.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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Boronic Acids and Esters
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