2-Fluoro-5-formylphenylboronic acid pinacol ester

• Catalog Number: ACM1112208828
• Product Name: 2-Fluoro-5-formylphenylboronic acid pinacol ester
• CAS: 1112208-82-8
• Category: Other
• IUPAC Name: 4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
• Molecular Weight: 250.08g/mol
• Molecular Formula: C13H16BFO3
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)C=O)F
• InChI: InChI=1S/C13H16BFO3/c1-12(2)13(3,4)18-14(17-12)10-7-9(8-16)5-6-11(10)15/h5-8H,1-4H3
• InChI Key: WHYMLQVABFAGEK-UHFFFAOYSA-N
• Complexity: 316
• Covalently-Bonded Unit Count: 1
• Exact Mass: 250.117653g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• Heavy Atom Count: 18
• Monoisotopic Mass: 250.117653g/mol
• Rotatable Bond Count: 2

Custom Q&A

What is the molecular formula of 2-Fluoro-5-formylphenylboronic acid pinacol ester?

The molecular formula is C13H16BFO3.

What is the molecular weight of 2-Fluoro-5-formylphenylboronic acid pinacol ester?

The molecular weight is 250.08 g/mol.

What is the IUPAC name of 2-Fluoro-5-formylphenylboronic acid pinacol ester?

The IUPAC name is 4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde.

What is the InChI of 2-Fluoro-5-formylphenylboronic acid pinacol ester?

The InChI is InChI=1S/C13H16BFO3/c1-12(2)13(3,4)18-14(17-12)10-7-9(8-16)5-6-11(10)15/h5-8H,1-4H3.

What is the InChIKey of 2-Fluoro-5-formylphenylboronic acid pinacol ester?

The InChIKey is WHYMLQVABFAGEK-UHFFFAOYSA-N.

What is the canonical SMILES of 2-Fluoro-5-formylphenylboronic acid pinacol ester?

The canonical SMILES is B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)C=O)F.

What is the CAS number of 2-Fluoro-5-formylphenylboronic acid pinacol ester?

The CAS number is 1112208-82-8.

What is the European Community (EC) number of 2-Fluoro-5-formylphenylboronic acid pinacol ester?

The EC number is 694-038-0.

What is the DSSTox Substance ID of 2-Fluoro-5-formylphenylboronic acid pinacol ester?

The DSSTox Substance ID is DTXSID30674172.

Is the compound canonicalized?

Yes, the compound is canonicalized.