Basic information
- CAS
41757-81-7- Standard SMILES
CCOC(=O)NC(CCl)C(=O)OC- InChIKey
VJMUOSNHHFGAMF-UHFFFAOYSA-N- Molecular formula
- C7H12ClNO4
- Average molar mass
- 209.63 g/mol
- Monoisotopic mass
- 209.0454856
Names & identifiers
- Preferred name
- Methyl 3-chloro-2-(ethoxycarbonylamino)propanoate
- IUPAC
- methyl 3-chloro-2-(ethoxycarbonylamino)propanoate
Names & synonyms
41757-81-7NSC146361NSC-146361
Database identifiers
- CAS
41757-81-7- PubChem CID
- 286997
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 185
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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