4-(2-Chlorobenzoyl)-3,5-dihydroxyphenyl 2-chlorobenzoate
Basic information
- CAS
100334-98-3- Standard SMILES
O=C(Oc1cc(O)c(C(=O)c2ccccc2Cl)c(O)c1)c1ccccc1Cl- InChIKey
JFBYDBYKFLIXAJ-UHFFFAOYSA-N- Molecular formula
- C20H12Cl2O5
- Average molar mass
- 403.2 g/mol
- Monoisotopic mass
- 402.0061789
Names & identifiers
- Preferred name
- 4-(2-Chlorobenzoyl)-3,5-dihydroxyphenyl 2-chlorobenzoate
- IUPAC
- [4-(2-chlorobenzoyl)-3,5-dihydroxyphenyl] 2-chlorobenzoate
Names & synonyms
DTXSID9012008264-(2-Chlorobenzoyl)-3,5-dihydroxyphenyl 2-chlorobenzoate100334-98-3
Database identifiers
- CAS
100334-98-3- PubChem CID
- 85519359
- DTXSID
DTXSID901200826
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 530
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…