Basic information
- CAS
76981-45-8- Standard SMILES
Cc1c(OCC(=O)O)cccc1C(=O)c1ccc(Cl)cc1- InChIKey
IZZNJHFCLCOFBC-UHFFFAOYSA-N- Molecular formula
- C16H13ClO4
- Average molar mass
- 304.72 g/mol
- Monoisotopic mass
- 304.0502366
Names & identifiers
- Preferred name
- Acetic acid, 2-(3-(p-chlorobenzoyl)-o-tolyloxy)-
- IUPAC
- 2-[3-(4-chlorobenzoyl)-2-methylphenoxy]acetic acid
Names & synonyms
BRN 55763792-(3-(p-Chlorobenzoyl)-o-tolyloxy)acetic acidACETIC ACID, 2-(3-(p-CHLOROBENZOYL)-o-TOLYLOXY)-76981-45-8RefChem:316448DTXSID20998258[3-(4-Chlorobenzoyl)-2-methylphenoxy]acetic acid
Database identifiers
- CAS
76981-45-8- PubChem CID
- 53565
- DTXSID
DTXSID20998258- Nikkaji
- J85.208B
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 376
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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