2-Acetoxy-3,5-dichlorobenzoic acid
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Basic information
- CAS
54223-75-5- Standard SMILES
CC(=O)Oc1c(Cl)cc(Cl)cc1C(=O)O- InChIKey
YOKGZDMPRGZETE-UHFFFAOYSA-N- Molecular formula
- C9H6Cl2O4
- Average molar mass
- 249.04 g/mol
- Monoisotopic mass
- 247.96431403
Names & identifiers
- Preferred name
- 2-Acetoxy-3,5-dichlorobenzoic acid
- IUPAC
- 2-acetyloxy-3,5-dichlorobenzoic acid
Names & synonyms
2-acetoxy-3,5-dichlorobenzoic acid54223-75-5SCHEMBL1098005DTXSID90736008YOKGZDMPRGZETE-UHFFFAOYSA-N2-(Acetyloxy)-3,5-dichlorobenzoic acid
Database identifiers
- CAS
54223-75-5- PubChem CID
- 66906342
- DTXSID
DTXSID90736008
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 269
Related reactions
7 records
Compound notes
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