4-Fluoro-3-formylphenylboronic acid, pinacol ester - CAS 443776-94-1
Catalog: |
BB065207 |
Product Name: |
4-Fluoro-3-formylphenylboronic acid, pinacol ester |
CAS: |
443776-94-1 |
Synonyms: |
2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde; 4-Fluoro-3-formylphenylboronic acid pinacol ester; 4-Fluoro-3-formylphenylboronic acid, pinacol ester; (4-FLUORO-3-FORMYLPHENYL)BORONIC ACID PINACOL ESTER; 2-fluoro-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzaldehyde; 4-Fluoro-3-formylbenzeneboronic acid pinacol ester |
IUPAC Name: | 2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde |
Description: | 4-Fluoro-3-formylphenylboronic acid, pinacol ester |
Molecular Weight: | 250.07 |
Molecular Formula: | C13H16BFO3 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)F)C=O |
InChI: | InChI=1S/C13H16BFO3/c1-12(2)13(3,4)18-14(17-12)10-5-6-11(15)9(7-10)8-16/h5-8H,1-4H3 |
InChI Key: | RRKWTJBMMUWQDK-UHFFFAOYSA-N |
Complexity: | 316 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 250.1176527 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 250.1176527 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 35.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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