Basic information
- CAS
2948-12-1- Standard SMILES
O=C(Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)c1ccc(Cl)cc1- InChIKey
SMGVQZFGGUDSBZ-UHFFFAOYSA-N- Molecular formula
- C13H4Cl6O2
- Average molar mass
- 404.9 g/mol
- Monoisotopic mass
- 401.834246
Names & identifiers
- Preferred name
- Phenol, pentachloro-, p-chlorobenzoate
- IUPAC
- (2,3,4,5,6-pentachlorophenyl) 4-chlorobenzoate
Names & synonyms
Phenol, pentachloro-, p-chlorobenzoate2948-12-1Benzoic acid, p-chloro-, pentachlorophenyl esterBenzoic acid, 4-chloro-, pentachlorophenyl esterNSC-404989M7BC29CJM8DTXSID301836784-chloro-benzoic acid pentachlorophenyl esterRefChem:1094949DTXCID70106169Pentachlorophenol p-chlorobenzoatePentachlorophenyl-p-chlorobenzoate
Show more names
NSC 404989BRN 2172087Phenol, p-chlorobenzoate2,3,4,5,6-Pentachlorophenyl 4-chlorobenzoatepentachlorophenyl 4-chlorobenzoateNSC404989WLN: GR DVOR BG CG DG EG FG4-09-00-00977 (Beilstein Handbook Reference)
Database identifiers
- CAS
2948-12-1- PubChem CID
- 101281
- DTXSID
DTXSID30183678- UNII
- M7BC29CJM8
- Nikkaji
- J50.170K
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 358
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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