Basic information
- CAS
1440535-44-3- Standard SMILES
CCOC(=O)CNC(C#N)c1ccc(Cl)c(Cl)c1.Cl- InChIKey
OICROKQBUHMTDG-UHFFFAOYSA-N- Molecular formula
- C12H13Cl3N2O2
- Average molar mass
- 323.6 g/mol
- Monoisotopic mass
- 322.004261
Names & identifiers
- Preferred name
- Ethyl 2-[[cyano-(3,4-dichlorophenyl)methyl]amino]acetate hydrochloride
- IUPAC
- ethyl 2-[[cyano-(3,4-dichlorophenyl)methyl]amino]acetate;hydrochloride
Names & synonyms
1440535-44-3ethyl 2-[[cyano-(3,4-dichlorophenyl)methyl]amino]acetate hydrochlorideethyl 2-[[cyano-(3,4-dichlorophenyl)methyl]amino]acetate;hydrochlorideEthyl 2-((cyano(3,4-dichlorophenyl)methyl)amino)acetate hydrochlorideethyl 2-{[cyano(3,4-dichlorophenyl)methyl]amino}acetate hydrochlorideEthyl 2-[[cyano-(3,4-dichlorophenyl)-methyl]amino]acetate hydrochlorideMFCD24386241AKOS030245817CS-10127
Database identifiers
- CAS
1440535-44-3- PubChem CID
- 91664094
Properties
Computed structural properties
- Topological polar surface area
- 62.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 329
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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