CAS
871126-17-9 Purity
98%
871126-17-9 Purity
98%
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3-Fluoro-5-methoxycarbonylphenylboronic acid
CAS
871329-62-3
Catalog Number
ACM871329623
Category
Boronic Acids
Molecular Weight
197.96
Molecular Formula
C8H8 B F O4
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Specification
Synonyms
871329-62-3, 3-Fluoro-5-methoxycarbonylphenylboronic acid, (3-fluoro-5-methoxycarbonylphenyl)boronic acid, (3-Fluoro-5-Methoxycarbonyl)Benzeneboronic Acid, ACMC-209qg6, KSC657S1F, CTK5F7912, MolPort-001-771-776, ANW-38548, PC1774, SBB092229, AKOS006344213, AB30683, AG-H-51474, METHYL 3-BORONO-5-FLUOROBENZOATE, AK-62023, KB-31899, FT-0644978, X1411, 3-Fluoro-5-methoxycarbonylphenylboronic acid,
IUPAC Name
(3-fluoro-5-methoxycarbonylphenyl)boronic acid
Canonical SMILES
B(C1=CC(=CC(=C1)F)C(=O)OC)(O)O
InChI Key
VKHJVASTGLPBBL-UHFFFAOYSA-N
Boiling Point
372.5ºC at 760 mmHg
Melting Point
138-142ºC
Flash Point
179.1ºC
Density
1.33g/cm³
Exact Mass
198.05000
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
5
H-Bond Donor
2
What is the molecular formula of 3-Fluoro-5-methoxycarbonylphenylboronic acid?
The molecular formula is C8H8BFO4.
What is the molecular weight of 3-Fluoro-5-methoxycarbonylphenylboronic acid?
The molecular weight is 197.96 g/mol.
What is the IUPAC name of 3-Fluoro-5-methoxycarbonylphenylboronic acid?
The IUPAC name is (3-fluoro-5-methoxycarbonylphenyl)boronic acid.
What is the InChI of 3-Fluoro-5-methoxycarbonylphenylboronic acid?
The InChI is InChI=1S/C8H8BFO4/c1-14-8(11)5-2-6(9(12)13)4-7(10)3-5/h2-4,12-13H,1H3.
What is the InChIKey of 3-Fluoro-5-methoxycarbonylphenylboronic acid?
The InChIKey is VKHJVASTGLPBBL-UHFFFAOYSA-N.
What is the canonical SMILES of 3-Fluoro-5-methoxycarbonylphenylboronic acid?
The canonical SMILES is B(C1=CC(=CC(=C1)F)C(=O)OC)(O)O.
What is the CAS number of 3-Fluoro-5-methoxycarbonylphenylboronic acid?
The CAS number is 871329-62-3.
What is the EC number of 3-Fluoro-5-methoxycarbonylphenylboronic acid?
The EC number is 801-967-9.
What is the DSSTox Substance ID of 3-Fluoro-5-methoxycarbonylphenylboronic acid?
The DSSTox Substance ID is DTXSID50660113.
Is 3-Fluoro-5-methoxycarbonylphenylboronic acid considered a canonical compound?
Yes, it is considered a canonical compound.
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