Basic information
- CAS
70679-89-9- Standard SMILES
CC(=O)Oc1ccc(C(=O)O)cc1Cl- InChIKey
XOGBRRBOCDIKSR-UHFFFAOYSA-N- Molecular formula
- C9H7ClO4
- Average molar mass
- 214.6 g/mol
- Monoisotopic mass
- 214.00328638
Names & identifiers
- Preferred name
- 3-Chloro-4-acetoxybenzoic acid
- IUPAC
- 4-acetyloxy-3-chlorobenzoic acid
Names & synonyms
3-chloro-4-acetoxybenzoic acid70679-89-9DTXSID10443080RefChem:278286DTXCID203939014-Acetoxy-3-chlorobenzoic acidBenzoic acid, 4-(acetyloxy)-3-chloro-4-(acetyloxy)-3-chlorobenzoic acidSCHEMBL60475424-Acetoxy-3-chloro-benzoic acid
Database identifiers
- CAS
70679-89-9- PubChem CID
- 10656296
- DTXSID
DTXSID10443080- Nikkaji
- J714.500D
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 241
Related reactions
4 records
Compound notes
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