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Structure

5-Bromo-3-ethoxyphenylboronic acid

CAS
849062-02-8
Catalog Number
ACM849062028
Category
Boronic Acids
Molecular Weight
244.88g/mol
Molecular Formula
C8H10BBrO3

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Specification

IUPAC Name
(3-bromo-5-ethoxyphenyl)boronic acid
Canonical SMILES
B(C1=CC(=CC(=C1)Br)OCC)(O)O
InChI
InChI=1S/C8H10BBrO3/c1-2-13-8-4-6(9(11)12)3-7(10)5-8/h3-5,11-12H,2H2,1H3
InChI Key
FCUBWEOZVDXVHL-UHFFFAOYSA-N
Complexity
156
Covalently-Bonded Unit Count
1
Exact Mass
243.99064g/mol
Formal Charge
0
H-Bond Acceptor
3
H-Bond Donor
2
Heavy Atom Count
13
Monoisotopic Mass
243.99064g/mol
Rotatable Bond Count
3
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