Basic information
- CAS
7509-69-5- Standard SMILES
COC(=O)c1cccc(Cl)c1-c1c(Cl)cccc1C(=O)OC- InChIKey
PPMRXYYVUUINTR-UHFFFAOYSA-N- Molecular formula
- C16H12Cl2O4
- Average molar mass
- 339.2 g/mol
- Monoisotopic mass
- 338.0112642
Names & identifiers
- Preferred name
- Methyl 3-chloro-2-(2-chloro-6-methoxycarbonylphenyl)benzoate
- IUPAC
- methyl 3-chloro-2-(2-chloro-6-methoxycarbonylphenyl)benzoate
Names & synonyms
methyl 3-chloro-2-(2-chloro-6-methoxycarbonylphenyl)benzoate7509-69-5DTXSID40324999RefChem:354923DTXCID90276116NSC408157NSC-408157Dimethyl 6,6'-dichloro[1,1'-biphenyl]-2,2'-dicarboxylate
Database identifiers
- CAS
7509-69-5- PubChem CID
- 348704
- DTXSID
DTXSID40324999
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 377
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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