Basic information
- CAS
52793-03-0- Standard SMILES
CC(=O)CC(=O)Nc1ccc(C)c(Cl)c1- InChIKey
WDKGZXXHULCYHG-UHFFFAOYSA-N- Molecular formula
- C11H12ClNO2
- Average molar mass
- 225.67 g/mol
- Monoisotopic mass
- 225.0556563
Names & identifiers
- Preferred name
- N-(3-chloro-4-methylphenyl)-3-oxobutanamide
- IUPAC
- N-(3-chloro-4-methylphenyl)-3-oxobutanamide
- English name
- N-(3-Chloro-4-methyl-phenyl)-3-oxo-butyramide
- Molecular formula
- C11H12ClNO2
- Molecular weight
- 225.67
Names & synonyms
52793-03-0N-(3-chloro-4-methylphenyl)-3-oxobutanamideN-(3-Chloro-4-methyl-phenyl)-3-oxo-butyramideCBMicro_044804SCHEMBL12531500DTXSID20358171MFCD01001271SBB076284STL090831AKOS000115164BIM-0044905.P001ST50995684
Show more names
Butanamide, N-(3-chloro-4-methylphenyl)-3-oxo-
EN300-01462G31634SR-01000227134SR-01000227134-1Z56891337
Database identifiers
- CAS
52793-03-0- PubChem CID
- 879366
- DTXSID
DTXSID20358171- Nikkaji
- J153.416E
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 255
Chemistry & industry
Suppliers1 total
苏州筑研客生物医药有限公司15190025787 18550797660 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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