Basic information
- CAS
21758-94-1- Standard SMILES
CC(=O)c1cc(Cl)ccc1OCC(=O)O- InChIKey
JFCMQEKFMZAWJO-UHFFFAOYSA-N- Molecular formula
- C10H9ClO4
- Average molar mass
- 228.63 g/mol
- Monoisotopic mass
- 228.0189365
Names & identifiers
- Preferred name
- 2-(2-Acetyl-4-chlorophenoxy)acetic acid
- IUPAC
- 2-(2-acetyl-4-chlorophenoxy)acetic acid
Names & synonyms
21758-94-12-(2-acetyl-4-chlorophenoxy)acetic acid(2-Acetyl-4-chlorophenoxy)acetic acidAcetic acid, 2-(2-acetyl-4-chlorophenoxy)-NSC409414MFCD27947477SCHEMBL3691062DTXSID00325240AKOS022656745NSC-409414AS-754292-(2-acetyl-4-chloro-phenoxy)acetic acid
Database identifiers
- CAS
21758-94-1- PubChem CID
- 349596
- DTXSID
DTXSID00325240
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 254
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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