6-Isoquinolinyl-boronic acid

• CAS: 899438-92-7
• Catalog Number: ACM899438927
• Category: Boronic Acids
• Molecular Weight: 172.976320 [g/mol]
• Molecular Formula: C9H8 B N O2
• Synonyms: 6-Isoquinolinyl-boronic acid;Isoquinolin-6-ylboronic acid;Isoquinoline-6-boronic acid;isoquinolin-6-yl-6-boronic acid
• IUPAC Name: isoquinolin-6-ylboronic acid
• Canonical SMILES: B(C1=CC2=C(C=C1)C=NC=C2)(O)O
• InChI Key: OBUOMTRFSCUDKS-UHFFFAOYSA-N
• Boiling Point: 419.1ºC at 760 mmHg
• Flash Point: 207.3ºC
• Density: 1.28g/cm³
• Exact Mass: 173.06500
• H-Bond Acceptor: 3
• H-Bond Donor: 2

Custom Q&A

What is the molecular formula of 6-Isoquinolinyl-boronic acid?

The molecular formula of 6-Isoquinolinyl-boronic acid is C9H8BNO2.

What is the molecular weight of 6-Isoquinolinyl-boronic acid?

The molecular weight of 6-Isoquinolinyl-boronic acid is 172.98 g/mol.

What is the IUPAC name of 6-Isoquinolinyl-boronic acid?

The IUPAC name of 6-Isoquinolinyl-boronic acid is isoquinolin-6-ylboronic acid.

What is the InChI of 6-Isoquinolinyl-boronic acid?

The InChI of 6-Isoquinolinyl-boronic acid is InChI=1S/C9H8BNO2/c12-10(13)9-2-1-8-6-11-4-3-7(8)5-9/h1-6,12-13H.

What is the InChIKey of 6-Isoquinolinyl-boronic acid?

The InChIKey of 6-Isoquinolinyl-boronic acid is OBUOMTRFSCUDKS-UHFFFAOYSA-N.

What is the canonical SMILES of 6-Isoquinolinyl-boronic acid?

The canonical SMILES of 6-Isoquinolinyl-boronic acid is B(C1=CC2=C(C=C1)C=NC=C2)(O)O.

What is the CAS number of 6-Isoquinolinyl-boronic acid?

The CAS number of 6-Isoquinolinyl-boronic acid is 899438-92-7.

What is the EC number of 6-Isoquinolinyl-boronic acid?

The EC number of 6-Isoquinolinyl-boronic acid is 696-205-3.

What is the hydrogen bond donor count of 6-Isoquinolinyl-boronic acid?

The hydrogen bond donor count of 6-Isoquinolinyl-boronic acid is 2.

Is 6-Isoquinolinyl-boronic acid a canonicalized compound?

Yes, 6-Isoquinolinyl-boronic acid is a canonicalized compound.