3-Carboxy-2-fluorophenylboronic Acid Pinacol Ester - CAS 1373168-89-8
Catalog: |
BB008541 |
Product Name: |
3-Carboxy-2-fluorophenylboronic Acid Pinacol Ester |
CAS: |
1373168-89-8 |
Synonyms: |
2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid; 2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid |
IUPAC Name: | 2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid |
Description: | 3-Carboxy-2-fluorophenylboronic Acid Pinacol Ester (CAS# 1373168-89-8) is a useful research chemical. |
Molecular Weight: | 266.07 |
Molecular Formula: | C13H16FO4B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=C(C(=CC=C2)C(=O)O)F |
InChI: | InChI=1S/C13H16BFO4/c1-12(2)13(3,4)19-14(18-12)9-7-5-6-8(10(9)15)11(16)17/h5-7H,1-4H3,(H,16,17) |
InChI Key: | WVKOYVWFDCAHKF-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 °C |
LogP: | 1.82310 |
GHS Hazard Statement: | 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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113015526-A | Spirocyclic 2, 3-dihydro-7-azaindole compounds and uses thereof | 20180919 |
EP-3551620-A1 | 3-carboxylic acid pyrroles as nrf2 regulators | 20161212 |
US-2020031820-A1 | 3-carboxylic acid pyrroles as nrf2 regulators | 20161212 |
WO-2018109641-A1 | 3-carboxylic acid pyrroles as nrf2 regulators | 20161212 |
EP-3359532-A1 | Biaryl pyrazoles as nrf2 regulators | 20151006 |
Complexity: | 356 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 266.1125673 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 266.1125673 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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