2-(Aziridin-1-yl)-4-(4-chlorophenyl)-4-oxobutanimidic acid
Basic information
- CAS
108260-26-0- Standard SMILES
NC(=O)C(CC(=O)c1ccc(Cl)cc1)N1CC1- InChIKey
VDEHRUCDOJUIDA-UHFFFAOYSA-N- Molecular formula
- C12H13ClN2O2
- Average molar mass
- 252.69 g/mol
- Monoisotopic mass
- 252.0665554
Names & identifiers
- Preferred name
- 2-(Aziridin-1-yl)-4-(4-chlorophenyl)-4-oxobutanimidic acid
- IUPAC
- 2-(aziridin-1-yl)-4-(4-chlorophenyl)-4-oxobutanamide
- English name
- 2-aziridin-1-yl-4-(4-chlorophenyl)-4-oxo-butanamide
- Molecular formula
- C12H13ClN2O2
- Molecular weight
- 252.7
Names & synonyms
108260-26-0DTXSID809106582-(Aziridin-1-yl)-4-(4-chlorophenyl)-4-oxobutanimidic acidRefChem:1061451DTXCID801339703alpha-(2-(4-Chlorophenyl)-2-oxoethyl)-1-aziridineacetamide2-(aziridin-1-yl)-4-(4-chlorophenyl)-4-oxobutanamide1-AZIRIDINEACETAMIDE, alpha-(2-(4-CHLOROPHENYL)-2-OXOETHYL)-2-aziridin-1-yl-4-(4-chlorophenyl)-4-oxo-butanamide1-Aziridineacetamide, α-[2-(4-chlorophenyl)-2-oxoethyl]-
Database identifiers
- CAS
108260-26-0- PubChem CID
- 60227
- DTXSID
DTXSID80910658
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 63.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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