CAS
849062-36-8 Purity
97%
849062-36-8 Purity
97%
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3-Fluoro-4-(methylcarbamoyl)phenylboronic acid
CAS
849833-86-9
Catalog Number
ACM849833869
Category
Boronic Acids
Molecular Weight
196.97
Molecular Formula
C8H9BFNO3
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Specification
Synonyms
849833-86-9, 3-Fluoro-4-(methylcarbamoyl)phenylboronic acid, N-Methyl 4-borono-2-fluorobenzamide, 3-FLUORO-4-(METHYLCARBAMOYL)BENZENEBORONIC ACID, (3-Fluoro-4-(methylcarbamoyl)phenyl)boronic acid, [3-fluoro-4-(methylcarbamoyl)phenyl]boronic acid, ACMC-209pz8, SureCN245377, AC1Q40JN, CTK5F3634, MolPort-001-775-283, ANW-37938, N-methyl-4-borono-2-fluorobenzamide, PC3532, SBB092086, AKOS006222703, N-Methyl 4-borono-2-fluorobenzamide,, AG-H-40557, AK-84684, KB-58498
IUPAC Name
[3-fluoro-4-(methylcarbamoyl)phenyl]boronic acid
Canonical SMILES
B(C1=CC(=C(C=C1)C(=O)NC)F)(O)O
InChI Key
IVSXSBGNMOZTJR-UHFFFAOYSA-N
Melting Point
173-175℃
Exact Mass
197.06600
H-Bond Acceptor
4
H-Bond Donor
3
What is the molecular formula of 3-Fluoro-4-(methylcarbamoyl)phenylboronic acid?
The molecular formula is C8H9BFNO3.
What is the molecular weight of 3-Fluoro-4-(methylcarbamoyl)phenylboronic acid?
The molecular weight is 196.97 g/mol.
What is the IUPAC name of 3-Fluoro-4-(methylcarbamoyl)phenylboronic acid?
The IUPAC name is [3-fluoro-4-(methylcarbamoyl)phenyl]boronic acid.
What is the InChI of 3-Fluoro-4-(methylcarbamoyl)phenylboronic acid?
The InChI is InChI=1S/C8H9BFNO3/c1-11-8(12)6-3-2-5(9(13)14)4-7(6)10/h2-4,13-14H,1H3,(H,11,12).
What is the InChIKey of 3-Fluoro-4-(methylcarbamoyl)phenylboronic acid?
The InChIKey is IVSXSBGNMOZTJR-UHFFFAOYSA-N.
What is the canonical SMILES of 3-Fluoro-4-(methylcarbamoyl)phenylboronic acid?
The canonical SMILES is B(C1=CC(=C(C=C1)C(=O)NC)F)(O)O.
What is the CAS number of 3-Fluoro-4-(methylcarbamoyl)phenylboronic acid?
The CAS number is 849833-86-9.
What is the European Community (EC) number of 3-Fluoro-4-(methylcarbamoyl)phenylboronic acid?
The EC number is 691-000-5.
What is the monoisotopic mass of 3-Fluoro-4-(methylcarbamoyl)phenylboronic acid?
The monoisotopic mass is 197.0659515 g/mol.
Is 3-Fluoro-4-(methylcarbamoyl)phenylboronic acid a canonicalized compound?
Yes, it is a canonicalized compound.
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