2-Methylbenzoxazole-6-boronic Acid Pinacol Ester - CAS 1408089-23-5
Catalog: |
BB009131 |
Product Name: |
2-Methylbenzoxazole-6-boronic Acid Pinacol Ester |
CAS: |
1408089-23-5 |
Synonyms: |
2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole; 2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole |
IUPAC Name: | 2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole |
Description: | 2-Methylbenzoxazole-6-boronic Acid Pinacol Ester (CAS# 1408089-23-5) is a useful research chemical. |
Molecular Weight: | 259.11 |
Molecular Formula: | C14H18NO3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N=C(O3)C |
InChI: | InChI=1S/C14H18BNO3/c1-9-16-11-7-6-10(8-12(11)17-9)15-18-13(2,3)14(4,5)19-15/h6-8H,1-5H3 |
InChI Key: | QFHIOYSELCPERT-UHFFFAOYSA-N |
Storage: | Inert atmosphere, 2-8 °C |
LogP: | 2.43540 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020004594-A1 | Prophylactic or therapeutic agent for spinal muscular atrophy | 20180627 |
AU-2019293757-A1 | Prophylactic or therapeutic agent for spinal muscular atrophy | 20180627 |
BR-112020026637-A2 | PROPHYLACTIC OR THERAPEUTIC AGENT FOR SPINAL MUSCLE ATROPHY | 20180627 |
CN-112469707-A | Prophylactic or therapeutic agent for spinal muscular atrophy | 20180627 |
EP-3816160-A1 | Prophylactic or therapeutic agent for spinal muscular atrophy | 20180627 |
Complexity: | 345 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 259.1379736 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 259.1379736 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 44.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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