Benzoxazole-5-boronic Acid Pinacol Ester - CAS 936902-12-4
Catalog: |
BB041023 |
Product Name: |
Benzoxazole-5-boronic Acid Pinacol Ester |
CAS: |
936902-12-4 |
Synonyms: |
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole; 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole |
IUPAC Name: | 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole |
Description: | Benzoxazole-5-boronic Acid Pinacol Ester (CAS# 936902-12-4) is a useful research chemical. |
Molecular Weight: | 245.08 |
Molecular Formula: | C13H16NO3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)OC=N3 |
InChI: | InChI=1S/C13H16BNO3/c1-12(2)13(3,4)18-14(17-12)9-5-6-11-10(7-9)15-8-16-11/h5-8H,1-4H3 |
InChI Key: | CHLWHHUKKHNQTH-UHFFFAOYSA-N |
Melting Point: | 88-93 ℃ |
Flash Point: | Not applicable |
Purity: | 97 % |
Storage: | 2-8 ℃ |
LogP: | 2.12700 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021139775-A1 | Pyridone compound and application | 20200110 |
WO-2021007477-A1 | Indazoles and azaindazoles as lrrk2 inhibitors | 20190711 |
KR-20210018243-A | C26-linked rapamycin analogues as mTOR inhibitors | 20180501 |
KR-20210018244-A | C40-, C28- and C-32-linked rapamycin analogs as mTOR inhibitors | 20180501 |
US-2021078975-A1 | Fused cyclic urea derivatives as crhr2 antagonist | 20180409 |
Complexity: | 318 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 245.1223235 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 245.1223235 |
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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