4-Bromo-1-butylboronic acid catechol ester

Name: 4-Bromo-1-butylboronic acid catechol ester
SKU: ACM142172518-1
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Catalog NumberACM142172518-1

CAS Number142172-51-8

CategorySalt

IUPAC Name

2-(4-bromobutyl)-1,3,2-benzodioxaborole

Molecular Weight

254.92g/mol

Molecular Formula

C10H12BBrO2

Canonical SMILES

B1(OC2=CC=CC=C2O1)CCCCBr

InChI

InChI=1S/C10H12BBrO2/c12-8-4-3-7-11-13-9-5-1-2-6-10(9)14-11/h1-2,5-6H,3-4,7-8H2

InChI Key

OCRCQJNMXARNMQ-UHFFFAOYSA-N

Complexity

166

Covalently-Bonded Unit Count

Exact Mass

254.01137g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

254.01137g/mol

Rotatable Bond Count

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