4-Amino-3-fluorophenylboronic Acid Pinacol Ester - CAS 819058-34-9
Catalog: |
BB036729 |
Product Name: |
4-Amino-3-fluorophenylboronic Acid Pinacol Ester |
CAS: |
819058-34-9 |
Synonyms: |
2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline; 2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline |
IUPAC Name: | 2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline |
Description: | 4-Amino-3-fluorophenylboronic Acid Pinacol Ester (CAS# 819058-34-9) is a useful research chemical. |
Molecular Weight: | 237.08 |
Molecular Formula: | C12H17FNO2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)N)F |
InChI: | InChI=1S/C12H17BFNO2/c1-11(2)12(3,4)17-13(16-11)8-5-6-10(15)9(14)7-8/h5-7H,15H2,1-4H3 |
InChI Key: | AIXGNRNTXUKZLC-UHFFFAOYSA-N |
Boiling Point: | 333.5 °C at 760 mmHg |
Density: | 1.11 g/cm3 |
MDL: | MFCD09033884 |
LogP: | 2.28830 |
GHS Hazard Statement: | H302 (50%): 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 |
CN-113045582-A | PARP-1/PI3K double-target inhibitor or pharmaceutically acceptable salt thereof, and preparation method and application thereof | 20210205 |
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-2021067569-A1 | Substituted 1, 6-naphthyridine inhibitors of cdk5 | 20191001 |
KR-102112336-B1 | Heterocyclic compound as a protein kinase inhibitor | 20190812 |
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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