5-Cyanofuran-2-boronic acid pinacol ester - CAS 1111096-21-9
Catalog: |
BB002713 |
Product Name: |
5-Cyanofuran-2-boronic acid pinacol ester |
CAS: |
1111096-21-9 |
Synonyms: |
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-furancarbonitrile; 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-carbonitrile |
IUPAC Name: | 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-carbonitrile |
Description: | 5-Cyanofuran-2-boronic acid pinacol ester (CAS# 1111096-21-9 ) is a useful research chemical. |
Molecular Weight: | 219.05 |
Molecular Formula: | C11H14BNO3 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(O2)C#N |
InChI: | InChI=1S/C11H14BNO3/c1-10(2)11(3,4)16-12(15-10)9-6-5-8(7-13)14-9/h5-6H,1-4H3 |
InChI Key: | FJXFCIJNLDIHNE-UHFFFAOYSA-N |
LogP: | 1.45048 |
Publication Number | Title | Priority Date |
US-2019327974-A1 | Synergists for improved pesticides | 20170109 |
WO-2018127928-A1 | Synergists for improved pesticides | 20170109 |
AU-2014274644-A1 | New thienopyrimidine derivatives, a process for their preparation and pharmaceutical compositions containing them | 20131223 |
DK-2886545-T3 | Thienopyrimidinderivater new, a process for their preparation and pharmaceutical compositions containing them | 20131223 |
EP-2886545-A1 | New thienopyrimidine derivatives, a process for their preparation and pharmaceutical compositions containing them | 20131223 |
Complexity: | 317 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 219.1066735 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 219.1066735 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 55.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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