6-Bromocinnolin-4(1H)-one

• CAS: 552330-87-7
• Catalog Number: ACM552330877
• Category: Bromine Series
• Molecular Weight: 225.04
• Molecular Formula: C8H5BrN2O
• Synonyms: 6-Bromo-4-cinnolinol, 6-bromocinnolin-4(1H)-one, MLS002706546, NSC114061, MolPort-006-727-769, AIDS126518, AIDS-126518, CID270902, NSC 114061, EN000429, SMR001573949, 876-88-0, 552330-87-7
• IUPAC Name: 6-bromo-1H-cinnolin-4-one
• Canonical SMILES: C1=CC2=C(C=C1Br)C(=O)C=NN2
• InChI Key: VWMHMZLZLNLBPB-UHFFFAOYSA-N
• Exact Mass: 223.95900
• H-Bond Acceptor: 3
• H-Bond Donor: 1

Custom Q&A

What is the molecular formula of 6-Bromocinnolin-4(1H)-one?

The molecular formula is C8H5BrN2O.

What is the molecular weight of 6-Bromocinnolin-4(1H)-one?

The molecular weight is 225.04 g/mol.

What is the IUPAC name of 6-Bromocinnolin-4(1H)-one?

The IUPAC name is 6-bromo-1H-cinnolin-4-one.

What is the InChI of 6-Bromocinnolin-4(1H)-one?

The InChI is InChI=1S/C8H5BrN2O/c9-5-1-2-7-6(3-5)8(12)4-10-11-7/h1-4H,(H,11,12).

What is the InChIKey of 6-Bromocinnolin-4(1H)-one?

The InChIKey is VWMHMZLZLNLBPB-UHFFFAOYSA-N.

What is the canonical SMILES of 6-Bromocinnolin-4(1H)-one?

The canonical SMILES is C1=CC2=C(C=C1Br)C(=O)C=NN2.

What is the CAS number of 6-Bromocinnolin-4(1H)-one?

The CAS number is 876-88-0.

What is the UNII of 6-Bromocinnolin-4(1H)-one?

The UNII is 9VXF8HBE3X.

What is the ChEMBL ID of 6-Bromocinnolin-4(1H)-one?

The ChEMBL ID is CHEMBL1722545.

What is the molecular weight and XLogP3 of 6-Bromocinnolin-4(1H)-one?

The molecular weight is 225.04 g/mol, and the XLogP3 is 1.5.