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Structure

4-Butoxy-3-fluorophenylboronic acid

CAS
156487-13-7
Catalog Number
ACM156487137
Category
Other Products; Boronic Acids
Molecular Weight
212.03g/mol
Molecular Formula
C10H14BFO3

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Specification

IUPAC Name
(4-butoxy-3-fluorophenyl)boronic acid
Canonical SMILES
B(C1=CC(=C(C=C1)OCCCC)F)(O)O
InChI
InChI=1S/C10H14BFO3/c1-2-3-6-15-10-5-4-8(11(13)14)7-9(10)12/h4-5,7,13-14H,2-3,6H2,1H3
InChI Key
JVHCUZXLXOUYHX-UHFFFAOYSA-N
Complexity
180
Covalently-Bonded Unit Count
1
Exact Mass
212.102003g/mol
Formal Charge
0
H-Bond Acceptor
4
H-Bond Donor
2
Heavy Atom Count
15
Monoisotopic Mass
212.102003g/mol
Rotatable Bond Count
5
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