3-Hydroxy-5-(methoxycarbonyl)phenylboronic Acid Pinacol Ester - CAS 1004294-79-4
Catalog: |
BB000226 |
Product Name: |
3-Hydroxy-5-(methoxycarbonyl)phenylboronic Acid Pinacol Ester |
CAS: |
1004294-79-4 |
Synonyms: |
3-hydroxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid methyl ester; methyl 3-hydroxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate |
IUPAC Name: | methyl 3-hydroxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate |
Description: | 3-Hydroxy-5-(methoxycarbonyl)phenylboronic Acid Pinacol Ester (CAS# 1004294-79-4) is a useful research chemical. |
Molecular Weight: | 278.11 |
Molecular Formula: | C14H19O5B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)O)C(=O)OC |
InChI: | InChI=1S/C14H19BO5/c1-13(2)14(3,4)20-15(19-13)10-6-9(12(17)18-5)7-11(16)8-10/h6-8,16H,1-5H3 |
InChI Key: | CXTSTJMTRHANCB-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 °C |
MDL: | MFCD12546597 |
LogP: | 1.47800 |
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-2017006295-A1 | Hydroxy formamide derivatives and their use | 20150708 |
AU-2015359626-A1 | 1,3-thiazol-2-yl substituted benzamides | 20141209 |
EA-032312-B1 | 1,3-TIAZOL-2-IL-SUBSTITUTED BENZAMIDES | 20141209 |
EA-034273-B1 | 1,3-Thiazole-2-yl Substituted Benzamides | 20141209 |
EP-3230281-A1 | 1,3-thiazol-2-yl substituted benzamides | 20141209 |
Complexity: | 366 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 278.1325539 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 278.1325539 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 65 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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