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Structure

3,6-Dibromo-2-fluorophenylboronic acid

CAS
870778-92-0
Catalog Number
ACM870778920
Category
Other Products; Boronic Acids
Molecular Weight
297.71g/mol
Molecular Formula
C6H4BBr2FO2

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Specification

IUPAC Name
(3,6-dibromo-2-fluorophenyl)boronic acid
Canonical SMILES
B(C1=C(C=CC(=C1F)Br)Br)(O)O
InChI
InChI=1S/C6H4BBr2FO2/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2,11-12H
InChI Key
KALJKPUYTUFGLI-UHFFFAOYSA-N
Complexity
161
Covalently-Bonded Unit Count
1
Exact Mass
297.86346g/mol
Formal Charge
0
H-Bond Acceptor
3
H-Bond Donor
2
Heavy Atom Count
12
Monoisotopic Mass
295.86551g/mol
Rotatable Bond Count
1
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