4-(2-Tolyl)furan-2-boronic acid pinacol ester

HCID 45786352

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Basic information

CAS: 2096331-39-2
Standard SMILES: Cc1ccccc1-c1coc(B2OC(C)(C)C(C)(C)O2)c1
InChIKey: VMQMHUKEEHBQIM-UHFFFAOYSA-N
Molecular formula: C17H21BO3
Average molar mass: 284.2 g/mol
Monoisotopic mass: 284.1583747

Names & identifiers

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

Names & synonyms

2096331-39-24-(2-Tolyl)furan-2-boronic acid pinacol ester4,4,5,5-Tetramethyl-2-(4-(o-tolyl)furan-2-yl)-1,3,2-dioxaborolane4,4,5,5-tetramethyl-2-[4-(2-methylphenyl)furan-2-yl]-1,3,2-dioxaborolaneMFCD12032485DTXSID201144996AKOS015943553CS-310834,4,5,5-tetramethyl-2-[4-(o-tolyl)-2-furyl]-1,3,2-dioxaborolane1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-[4-(2-methylphenyl)-2-furanyl]-

Database identifiers

CAS: 2096331-39-2
PubChem CID: 45786352
DTXSID: DTXSID201144996

Properties

Computed structural properties

Topological polar surface area: 31.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 21
Formal charge: 0
Complexity: 366

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