2-Fluoro-5-nitrophenylboronic Acid Pinacol Ester - CAS 425378-68-3
Catalog: |
BB025153 |
Product Name: |
2-Fluoro-5-nitrophenylboronic Acid Pinacol Ester |
CAS: |
425378-68-3 |
Synonyms: |
2-(2-fluoro-5-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-(2-fluoro-5-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
IUPAC Name: | 2-(2-fluoro-5-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
Description: | 2-Fluoro-5-nitrophenylboronic Acid Pinacol Ester (CAS# 425378-68-3) is a useful research chemical. |
Molecular Weight: | 267.06 |
Molecular Formula: | C12H15FNO4B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)[N+](=O)[O-])F |
InChI: | InChI=1S/C12H15BFNO4/c1-11(2)12(3,4)19-13(18-11)9-7-8(15(16)17)5-6-10(9)14/h5-7H,1-4H3 |
InChI Key: | FXEVKZIXXGDLFW-UHFFFAOYSA-N |
MDL: | MFCD06409955 |
LogP: | 2.55630 |
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 |
US-2021230153-A1 | Aryl hydrocarbon receptor (ahr) agonists and uses thereof | 20191220 |
US-2020140459-A1 | Heterocyclic compounds as bet inhibitors | 20181030 |
CN-113226322-A | Heterocyclic compounds as BET inhibitors | 20181030 |
WO-2018086585-A1 | Nitrogen-containing heterocyclic compounds, preparation method therefor, pharmaceutical composition thereof, and applications thereof | 20161110 |
WO-2018086604-A1 | Nitrogen-containing heterocyclic compounds, preparation method therefor, pharmaceutical composition thereof, and applications thereof | 20161110 |
Complexity: | 355 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 267.1078163 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 267.1078163 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 64.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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