5-(2-Fluorophenyl)furan-2-boronic acid pinacol ester

HCID 45786366

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Basic information

CAS: 1402240-86-1
Standard SMILES: CC1(C)OB(c2ccc(-c3ccccc3F)o2)OC1(C)C
InChIKey: XWVSGOIPSPCTIT-UHFFFAOYSA-N
Molecular formula: C16H18BFO3
Average molar mass: 288.1 g/mol
Monoisotopic mass: 288.1333028

Names & identifiers

Preferred name: 5-(2-Fluorophenyl)furan-2-boronic acid pinacol ester
IUPAC: 2-[5-(2-fluorophenyl)furan-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Names & synonyms

1402240-86-15-(2-Fluorophenyl)furan-2-boronic acid pinacol ester2-(5-(2-Fluorophenyl)furan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane2-[5-(2-fluorophenyl)furan-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneSCHEMBL28441643DTXSID001145586AKOS015943710CS-310481,3,2-Dioxaborolane, 2-[5-(2-fluorophenyl)-2-furanyl]-4,4,5,5-tetramethyl-

Database identifiers

CAS: 1402240-86-1
PubChem CID: 45786366
DTXSID: DTXSID001145586

Properties

Computed structural properties

Topological polar surface area: 31.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 21
Formal charge: 0
Complexity: 372

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