3-Fluorobenzylboronic Acid Pinacol Ester - CAS 1310048-95-3
Catalog: |
BB007223 |
Product Name: |
3-Fluorobenzylboronic Acid Pinacol Ester |
CAS: |
1310048-95-3 |
Synonyms: |
2-[(3-fluorophenyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-[(3-fluorophenyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
IUPAC Name: | 2-[(3-fluorophenyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
Description: | 3-Fluorobenzylboronic Acid Pinacol Ester (CAS# 1310048-95-3) is a useful research chemical. |
Molecular Weight: | 236.09 |
Molecular Formula: | C13H18FO2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)CC2=CC(=CC=C2)F |
InChI: | InChI=1S/C13H18BFO2/c1-12(2)13(3,4)17-14(16-12)9-10-6-5-7-11(15)8-10/h5-8H,9H2,1-4H3 |
InChI Key: | LIQLVQAWDJTUIM-UHFFFAOYSA-N |
Appearance: | Colorless to yellow liquid |
LogP: | 3.26600 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2016305513-A1 | Aryl-substituted dihydroquinolinones, their preparation and their use as pharmaceuticals | 20150811 |
EP-3334717-A1 | Aryl-substituted dihydroquinolinones, their preparation and their use as pharmaceuticals | 20150811 |
EP-3334717-B1 | Aryl-substituted dihydroquinolinones, their preparation and their use as pharmaceuticals | 20150811 |
JP-2018527340-A | Aryl-substituted dihydroquinolinones, their preparation and their use as pharmaceuticals | 20150811 |
US-10501438-B2 | Aryl-substituted dihydroquinolinones, their preparation and their use as pharmaceuticals | 20150811 |
Complexity: | 265 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 236.1383881 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 236.1383881 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 18.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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