2-(Ethoxycarbonyl)-4,5-difluorophenylboronic acid pinacol ester - CAS 1334164-30-5
Catalog: |
BB065961 |
Product Name: |
2-(Ethoxycarbonyl)-4,5-difluorophenylboronic acid pinacol ester |
CAS: |
1334164-30-5 |
Synonyms: |
2-(ETHOXYCARBONYL)-4,5-DIFLUOROPHENYLBORONIC ACID PINACOL ESTER; ethyl 4,5-difluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate; ethyl4,5-difluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate |
IUPAC Name: | ethyl 4,5-difluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate |
Description: | 2-(Ethoxycarbonyl)-4,5-difluorophenylboronic acid pinacol ester |
Molecular Weight: | 312.12 |
Molecular Formula: | C15H19BF2O4 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2C(=O)OCC)F)F |
InChI: | InChI=1S/C15H19BF2O4/c1-6-20-13(19)9-7-11(17)12(18)8-10(9)16-21-14(2,3)15(4,5)22-16/h7-8H,6H2,1-5H3 |
InChI Key: | FWIZTURUCKHPCI-UHFFFAOYSA-N |
Complexity: | 414 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 312.1344456 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 312.1344456 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 44.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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