Basic information
- CAS
1078166-58-1- Standard SMILES
CCOC(=O)C1(CCl)CN(C(=O)c2cccc(OC)c2)C1- InChIKey
UQKNIJVAYFRZLX-UHFFFAOYSA-N- Molecular formula
- C15H18ClNO4
- Average molar mass
- 311.76 g/mol
- Monoisotopic mass
- 311.0924357
Names & identifiers
- Preferred name
- Ethyl 3-(chloromethyl)-1-(3-methoxybenzoyl)azetidine-3-carboxylate
- IUPAC
- ethyl 3-(chloromethyl)-1-(3-methoxybenzoyl)azetidine-3-carboxylate
Names & synonyms
ethyl 3-(chloromethyl)-1-(3-methoxybenzoyl)azetidine-3-carboxylateSCHEMBL3635600UQKNIJVAYFRZLX-UHFFFAOYSA-NDTXSID9011357443-Azetidinecarboxylic acid, 3-(chloromethyl)-1-(3-methoxybenzoyl)-, ethyl ester1078166-58-1
Database identifiers
- CAS
1078166-58-1- PubChem CID
- 59842467
- DTXSID
DTXSID901135744
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 395
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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