4-(2-Hydroxy-2-propyl)phenylboronic Acid Pinacol Ester - CAS 917397-93-4
Catalog: |
BB040332 |
Product Name: |
4-(2-Hydroxy-2-propyl)phenylboronic Acid Pinacol Ester |
CAS: |
917397-93-4 |
Synonyms: |
2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-propanol; 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-ol |
IUPAC Name: | 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-ol |
Description: | 4-(2-Hydroxy-2-propyl)phenylboronic Acid Pinacol Ester (CAS# 917397-93-4) is a useful research chemical. |
Molecular Weight: | 262.15 |
Molecular Formula: | C15H23O3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(C)(C)O |
InChI: | InChI=1S/C15H23BO3/c1-13(2,17)11-7-9-12(10-8-11)16-18-14(3,4)15(5,6)19-16/h7-10,17H,1-6H3 |
InChI Key: | UVVBTHYPMAWWCK-UHFFFAOYSA-N |
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 |
US-2020216417-A1 | Inhibitors of fibroblast activation protein | 20190104 |
WO-2020142742-A1 | Inhibitors of fibroblast activation protein | 20190104 |
KR-20210113634-A | Inhibitors of fibroblast activation protein | 20190104 |
CN-112689630-A | Novel LXR modulators with bicyclic core moieties | 20180628 |
EP-3402799-A1 | Heterocyclic compounds as rsv inhibitors | 20160115 |
Complexity: | 314 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 262.1740248 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 262.1740248 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 38.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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