4-Amino-2-fluorophenylboronic Acid Pinacol Ester - CAS 819057-45-9
Catalog: |
BB036728 |
Product Name: |
4-Amino-2-fluorophenylboronic Acid Pinacol Ester |
CAS: |
819057-45-9 |
Synonyms: |
3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline; 3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline |
IUPAC Name: | 3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline |
Description: | 4-Amino-2-fluorophenylboronic Acid Pinacol Ester (CAS# 819057-45-9) is a useful research chemical. |
Molecular Weight: | 237.08 |
Molecular Formula: | C12H17FNO2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)N)F |
InChI: | InChI=1S/C12H17BFNO2/c1-11(2)12(3,4)17-13(16-11)9-6-5-8(15)7-10(9)14/h5-7H,15H2,1-4H3 |
InChI Key: | FLMNWVXAEGUVNY-UHFFFAOYSA-N |
Boiling Point: | 343.6 °C at 760 mmHg |
Density: | 1.11 g/cm3 |
MDL: | MFCD09951877 |
LogP: | 2.28830 |
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 |
CN-113045582-A | PARP-1/PI3K double-target inhibitor or pharmaceutically acceptable salt thereof, and preparation method and application thereof | 20210205 |
CN-111574426-A | Diamine monomer containing isoindigo structure and black polyimide synthesized from diamine monomer | 20200527 |
KR-102178181-B1 | Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof | 20200331 |
KR-20200076655-A | Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof | 20200331 |
WO-2021133957-A1 | Benzimidazole compounds as hdac6 inhibitors | 20191227 |
Complexity: | 282 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 237.1336371 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 237.1336371 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 44.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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