Basic information
- CAS
5435-84-7- Standard SMILES
O=C(Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)c1ccc(Cl)cc1Cl- InChIKey
KEWARCLVRHWTHO-UHFFFAOYSA-N- Molecular formula
- C13H3Cl7O2
- Average molar mass
- 439.3 g/mol
- Monoisotopic mass
- 435.795273
Names & identifiers
- Preferred name
- Pentachlorophenyl 2,4-dichlorobenzoate
- IUPAC
- (2,3,4,5,6-pentachlorophenyl) 2,4-dichlorobenzoate
Names & synonyms
pentachlorophenyl 2,4-dichlorobenzoate5435-84-7NSC21510DTXSID20281394NSC-21510
Database identifiers
- CAS
5435-84-7- PubChem CID
- 228530
- DTXSID
DTXSID20281394
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 394
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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