N-(4-bromo-2-methylphenyl)-3-oxobutanamide

HCID 4100579

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 23939-48-2
Standard SMILES: CC(=O)CC(=O)Nc1ccc(Br)cc1C
InChIKey: LWJIFNULDBNYCR-UHFFFAOYSA-N
Molecular formula: C11H12BrNO2
Average molar mass: 270.12 g/mol
Monoisotopic mass: 269.00514

Names & identifiers

Preferred name: N-(4-bromo-2-methylphenyl)-3-oxobutanamide
IUPAC: N-(4-bromo-2-methylphenyl)-3-oxobutanamide

Names & synonyms

N-(4-bromo-2-methylphenyl)-3-oxobutanamide23939-48-2SCHEMBL1128719DTXSID70399312LWJIFNULDBNYCR-UHFFFAOYSA-NAKOS000165522N-[4-Bromo-2-methylphenyl]-acetoacetamideST51029109

Database identifiers

CAS: 23939-48-2
PubChem CID: 4100579
DTXSID: DTXSID70399312

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 46.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 255

Related reactions

2 records

New reaction record

HRID 986011As reactantuspto-grants-1987_12

HRID 986012As productuspto-grants-1987_12

Compound notes

Loading…