CAS
874289-40-4 Purity
98%
874289-40-4 Purity
98%
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2-Fluoro-5-(methoxycarbamoyl)phenylboronic acid
CAS
874289-58-4
Catalog Number
ACM874289584
Category
Boronic Acids
Molecular Weight
212.97
Molecular Formula
C8H9BFNO4
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Specification
Synonyms
874289-58-4, N-Methoxy 3-borono-4-fluorobenzamide, 2-Fluoro-5-(methoxycarbamoyl)benzeneboronic acid, ACMC-209qmw, CTK5F8433, MolPort-001-775-310, ANW-38790, PC3596, SBB094729, AKOS015833640, AG-H-52829, N-Methoxy 3-borono-4-fluorobenzamide,, AK-95225, KB-58434, 2-fluoro-5-(methoxycarbamoyl)phenylboronic acid, B-4429, (2-Fluoro-5-(methoxycarbamoyl)phenyl)boronic acid, A842204, [2-fluoranyl-5-(methoxycarbamoyl)phenyl]boronic acid, I01-10583
IUPAC Name
[2-fluoro-5-(methoxycarbamoyl)phenyl]boronic acid
Canonical SMILES
B(C1=C(C=CC(=C1)C(=O)NOC)F)(O)O
InChI Key
BICVNGATAFRLPE-UHFFFAOYSA-N
Melting Point
122-124ºC
Density
1.36g/cm³
Exact Mass
213.06100
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
5
H-Bond Donor
3
What is the molecular formula of 2-Fluoro-5-(methoxycarbamoyl)phenylboronic acid?
The molecular formula is C8H9BFNO4.
What is the molecular weight of 2-Fluoro-5-(methoxycarbamoyl)phenylboronic acid?
The molecular weight is 212.97 g/mol.
What is the IUPAC name of 2-Fluoro-5-(methoxycarbamoyl)phenylboronic acid?
The IUPAC name is [2-fluoro-5-(methoxycarbamoyl)phenyl]boronic acid.
What is the InChI of 2-Fluoro-5-(methoxycarbamoyl)phenylboronic acid?
The InChI is InChI=1S/C8H9BFNO4/c1-15-11-8(12)5-2-3-7(10)6(4-5)9(13)14/h2-4,13-14H,1H3,(H,11,12).
What is the InChIKey of 2-Fluoro-5-(methoxycarbamoyl)phenylboronic acid?
The InChIKey is BICVNGATAFRLPE-UHFFFAOYSA-N.
What is the canonical SMILES of 2-Fluoro-5-(methoxycarbamoyl)phenylboronic acid?
The canonical SMILES is B(C1=C(C=CC(=C1)C(=O)NOC)F)(O)O.
What is the CAS number of 2-Fluoro-5-(methoxycarbamoyl)phenylboronic acid?
The CAS number is 874289-58-4.
What is the EC number of 2-Fluoro-5-(methoxycarbamoyl)phenylboronic acid?
The EC number is 688-425-3.
What is the hydrogen bond donor count of 2-Fluoro-5-(methoxycarbamoyl)phenylboronic acid?
The hydrogen bond donor count is 3.
What is the defined bond stereocenter count of 2-Fluoro-5-(methoxycarbamoyl)phenylboronic acid?
The defined bond stereocenter count is 0.
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