1-(4-Bromophenyl)-2-pyrrolidinone

• CAS: 7661-32-7
• Catalog Number: ACM7661327
• Category: Bromine Series
• Molecular Weight: 240.1
• Molecular Formula: C₁₀H₁₀BrNO
• Synonyms: MLS000539454, ZINC00155729, 1-(4-bromophenyl)-2-pyrrolidinone, CID736110, SMR000125112, ST5307233, 7661-32-7
• IUPAC Name: 1-(4-bromophenyl)pyrrolidin-2-one
• Canonical SMILES: C1CC(=O)N(C1)C2=CC=C(C=C2)Br
• InChI Key: YINFEFUSAQRZGG-UHFFFAOYSA-N
• Boiling Point: 98-101ºC
• Melting Point: 98-101ºC
• Flash Point: 98-101ºC
• Density: 1.532g/cm³
• Appearance: Beige or faintly pink crystalline powder
• Exact Mass: 238.99500
• Hazard Statements: Xi
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• Safety Description: 24/25

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C10H10BrNO.

What is the molecular weight of the compound?

The molecular weight of the compound is 240.10 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 1-(4-bromophenyl)pyrrolidin-2-one.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C10H10BrNO/c11-8-3-5-9(6-4-8)12-7-1-2-10(12)13/h3-6H,1-2,7H2.

What is the InChIKey of the compound?

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

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is C1CC(=O)N(C1)C2=CC=C(C=C2)Br.

What is the CAS number of the compound?

The CAS number of the compound is 7661-32-7.

What is the ChEMBL ID of the compound?

The ChEMBL ID of the compound is CHEMBL1307259.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 2.

Is the compound canonicalized?

Yes, the compound is canonicalized.