2-Methylbenzoxazole-5-boronic Acid Pinacol Ester - CAS 845872-30-2
Catalog: |
BB037255 |
Product Name: |
2-Methylbenzoxazole-5-boronic Acid Pinacol Ester |
CAS: |
845872-30-2 |
Synonyms: |
2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole; 2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole |
IUPAC Name: | 2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole |
Description: | 2-Methylbenzoxazole-5-boronic Acid Pinacol Ester (CAS# 845872-30-2) 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)OC(=N3)C |
InChI: | InChI=1S/C14H18BNO3/c1-9-16-11-8-10(6-7-12(11)17-9)15-18-13(2,3)14(4,5)19-15/h6-8H,1-5H3 |
InChI Key: | BPSCJKYJEQQDQN-UHFFFAOYSA-N |
LogP: | 2.43540 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2019534261-A | Spiro ring compounds | 20161005 |
US-2020207776-A1 | Spirocyclic compounds | 20161005 |
US-10934304-B2 | Spirocyclic compounds | 20161005 |
US-2021115058-A1 | Spirocyclic compounds | 20161005 |
EP-3452481-A1 | SUBSTITUTED IMIDAZO[1,2-b | 20160505 |
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 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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