N-(3-Chloro-4-methyl-phenyl)-3-oxo-butyramide

• Catalog Number: ACMA00000963
• Category: Amines
• Molecular Weight: 225.67
• Molecular Formula: C₁₁H₁₁NO
• Hazard Statements: H315-H319-H335
• RIDADR: NONH for all modes of transport
• Symbol: GHS07

Custom Q&A

What is the molecular formula of the compound?

The molecular formula is C11H12ClNO2.

What is the molecular weight of the compound?

The molecular weight is 225.67 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is N-(3-chloro-4-methylphenyl)-3-oxobutanamide.

What is the InChI of the compound?

The InChI is InChI=1S/C11H12ClNO2/c1-7-3-4-9(6-10(7)12)13-11(15)5-8(2)14/h3-4,6H,5H2,1-2H3,(H,13,15).

What is the InChIKey of the compound?

The InChIKey is WDKGZXXHULCYHG-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is CC1=C(C=C(C=C1)NC(=O)CC(=O)C)Cl.

What is the CAS number of the compound?

The CAS number is 52793-03-0.

What is the XLogP3 value of the compound?

The XLogP3 value is 3.1.

How many hydrogen bond donor counts does the compound have?

The compound has 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts does the compound have?

The compound has 2 hydrogen bond acceptor counts.