CAS
850589-53-6 Purity
95%
850589-53-6 Purity
95%
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3-Fluoro-5-isobutoxybenzeneboronic acid
CAS
850589-57-0
Catalog Number
ACM850589570
Category
Boronic Acids
Molecular Weight
212.03
Molecular Formula
C10H14BFO3
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Specification
Synonyms
3-FLUORO-5-ISOBUTOXYPHENYLBORONIC ACID, 850589-57-0, SBB071247, AG-H-41347, ACMC-209q3f, CTK5F4012, MolPort-001-772-749, ACT11026, ANW-38089, AKOS015853163, AB30758, RL05257, 3-Fluoro-5-isobutoxyphenylboronic acid,, AK-46105, KB-31890, 3-Fluoro-5-(isobutyloxy)phenylboronic acid, FT-0686868, V1865, 3-fluoro-5-(2-methylpropoxy)phenylboronic acid, 3-FLUORO-5-ISOBUTOXYBENZENEBORONIC ACID
IUPAC Name
[3-fluoro-5-(2-methylpropoxy)phenyl]boronic acid
SMILES
B(C1=CC(=CC(=C1)F)OCC(C)C)(O)O
InChI Key
KLKWZMKGTIQLOG-UHFFFAOYSA-N
Boiling Point
334.9ºC at 760 mmHg
Melting Point
130-134ºC
Flash Point
156.4ºC
Density
1.15g/cm³
Exact Mass
212.10200
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
4
H-Bond Donor
2
What is the molecular formula of 3-Fluoro-5-isobutoxybenzeneboronic acid?
The molecular formula is C10H14BFO3.
What is the molecular weight of 3-Fluoro-5-isobutoxybenzeneboronic acid?
The molecular weight is 212.03 g/mol.
What is the CAS number of 3-Fluoro-5-isobutoxybenzeneboronic acid?
The CAS number is 850589-57-0.
What is the IUPAC name of 3-Fluoro-5-isobutoxybenzeneboronic acid?
The IUPAC name is [3-fluoro-5-(2-methylpropoxy)phenyl]boronic acid.
What is the InChI key of 3-Fluoro-5-isobutoxybenzeneboronic acid?
The InChI key is KLKWZMKGTIQLOG-UHFFFAOYSA-N.
What is the canonical SMILES of 3-Fluoro-5-isobutoxybenzeneboronic acid?
The canonical SMILES is B(C1=CC(=CC(=C1)F)OCC(C)C)(O)O.
How many hydrogen bond donor counts does 3-Fluoro-5-isobutoxybenzeneboronic acid have?
It has 2 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does 3-Fluoro-5-isobutoxybenzeneboronic acid have?
It has 4 hydrogen bond acceptor counts.
How many rotatable bond counts does 3-Fluoro-5-isobutoxybenzeneboronic acid have?
It has 4 rotatable bond counts.
Is 3-Fluoro-5-isobutoxybenzeneboronic acid a canonicalized compound?
Yes, it is a canonicalized compound according to PubChem.
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