Ethyl 2-(3-(2-chloroacetamido)-4-hydroxyphenyl)propanoate
Basic information
- Standard SMILES
CCOC(=O)C(C)c1ccc(O)c(NC(=O)CCl)c1- InChIKey
JJCXMGDMYVCOGA-UHFFFAOYSA-N- Molecular formula
- C13H16ClNO4
- Average molar mass
- 285.72 g/mol
- Monoisotopic mass
- 285.0767857
Names & identifiers
- Preferred name
- Ethyl 2-(3-(2-chloroacetamido)-4-hydroxyphenyl)propanoate
- IUPAC
- ethyl 2-[3-[(2-chloroacetyl)amino]-4-hydroxyphenyl]propanoate
Names & synonyms
SCHEMBL4131446JJCXMGDMYVCOGA-UHFFFAOYSA-Nethyl 2-(3-(2-chloroacetamido)-4-hydroxyphenyl)propanoate
Database identifiers
- PubChem CID
- 57742174
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 324
Related reactions
6 records
Compound notes
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