(5-Bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetic acid

• Catalog Number: ACMA00000623
• Category: Alkenyl
• Molecular Weight: 249.02
• Molecular Formula: C₆H₃BrN₂O
• Hazard Statements: H301
• RIDADR: NONH for all modes of transport
• Symbol: GHS06

Custom Q&A

What is the molecular formula of the compound?

The molecular formula is C6H5BrN2O4.

What is the molecular weight of the compound?

The molecular weight is 249.02 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetic acid.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C6H5BrN2O4/c7-3-1-9(2-4(10)11)6(13)8-5(3)12/h1H,2H2,(H,10,11)(H,8,12,13).

What is the InChIKey of the compound?

The InChIKey of the compound is GQNBZFSPZLGPFF-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is C1=C(C(=O)NC(=O)N1CC(=O)O)Br.

What is the CAS number of the compound?

The CAS number is 31385-63-4.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is -0.3.

How many hydrogen bond donor count does the compound have?

The compound has 2 hydrogen bond donor counts.

How many hydrogen bond acceptor count does the compound have?

The compound has 4 hydrogen bond acceptor counts.