Ethyl 4-(2-chlorophenyl)butanimidate
Basic information
- CAS
887577-91-5- Standard SMILES
CCOC(=N)CCCc1ccccc1Cl- InChIKey
PCMNLKZJAOYQHY-UHFFFAOYSA-N- Molecular formula
- C12H16ClNO
- Average molar mass
- 225.71 g/mol
- Monoisotopic mass
- 225.0920418
Names & identifiers
- Preferred name
- Ethyl 4-(2-chlorophenyl)butanimidate
- IUPAC
- ethyl 4-(2-chlorophenyl)butanimidate
- English name
- 4-(2-Chloro-phenyl)-butyrimidic acid ethyl ester
- Molecular formula
- C12H16ClNO
- Molecular weight
- 225.71
Names & synonyms
887577-91-5ethyl 4-(2-chlorophenyl)butanimidate4-(2-chlorophenyl)butyrimidic acid ethyl esterDTXSID10695325Benzenebutanimidic acid, 2-chloro-, ethyl ester4-(2-Chloro-phenyl)-butyrimidic acid ethyl ester
Database identifiers
- CAS
887577-91-5- PubChem CID
- 53404114
- DTXSID
DTXSID10695325
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 33.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 196
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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