2,4-Difluoro-3-formylphenylboronic acid

• CAS: 870718-06-2
• Catalog Number: ACM870718062
• Category: Other Products; Boronic Acids
• Molecular Weight: 185.92g/mol
• Molecular Formula: C7H5BF2O3
• IUPAC Name: (2,4-difluoro-3-formylphenyl)boronic acid
• Canonical SMILES: B(C1=C(C(=C(C=C1)F)C=O)F)(O)O
• InChI: InChI=1S/C7H5BF2O3/c9-6-2-1-5(8(12)13)7(10)4(6)3-11/h1-3,12-13H
• InChI Key: PVAWONNALJEQJH-UHFFFAOYSA-N
• Complexity: 191
• Covalently-Bonded Unit Count: 1
• Exact Mass: 186.02998g/mol
• Formal Charge: 0
• H-Bond Acceptor: 5
• H-Bond Donor: 2
• Heavy Atom Count: 13
• Monoisotopic Mass: 186.02998g/mol
• Rotatable Bond Count: 2

Custom Q&A

What is the molecular formula of 2,4-Difluoro-3-formylphenylboronic acid?

The molecular formula is C7H5BF2O3.

What is the molecular weight of 2,4-Difluoro-3-formylphenylboronic acid?

The molecular weight is 185.92 g/mol.

What is the IUPAC name of 2,4-Difluoro-3-formylphenylboronic acid?

The IUPAC name is (2,4-difluoro-3-formylphenyl)boronic acid.

What is the InChI of 2,4-Difluoro-3-formylphenylboronic acid?

The InChI is InChI=1S/C7H5BF2O3/c9-6-2-1-5(8(12)13)7(10)4(6)3-11/h1-3,12-13H.

What is the InChIKey of 2,4-Difluoro-3-formylphenylboronic acid?

The InChIKey is PVAWONNALJEQJH-UHFFFAOYSA-N.

What is the canonical SMILES of 2,4-Difluoro-3-formylphenylboronic acid?

The canonical SMILES is B(C1=C(C(=C(C=C1)F)C=O)F)(O)O.

What is the CAS number of 2,4-Difluoro-3-formylphenylboronic acid?

The CAS number is 870718-06-2.

What is the EC (European Community) number of 2,4-Difluoro-3-formylphenylboronic acid?

The EC number is 635-930-1.

What is the DSSTox (Distributed Structure-Searchable Toxicity) Substance ID of 2,4-Difluoro-3-formylphenylboronic acid?

The DSSTox Substance ID is DTXSID70391098.

Is 2,4-Difluoro-3-formylphenylboronic acid a canonicalized compound?

Yes, 2,4-Difluoro-3-formylphenylboronic acid is a canonicalized compound.