3-(2,5-Dichlorophenyl)-2-methoxybenzoic acid
Basic information
- CAS
1261939-70-1- Standard SMILES
COc1c(C(=O)O)cccc1-c1cc(Cl)ccc1Cl- InChIKey
ODFZVRNLJHLDDR-UHFFFAOYSA-N- Molecular formula
- C14H10Cl2O3
- Average molar mass
- 297.1 g/mol
- Monoisotopic mass
- 296.0006996
Names & identifiers
- Preferred name
- 3-(2,5-Dichlorophenyl)-2-methoxybenzoic acid
- IUPAC
- 3-(2,5-dichlorophenyl)-2-methoxybenzoic acid
Names & synonyms
1261939-70-13-(2,5-DICHLOROPHENYL)-2-METHOXYBENZOIC ACID2',5'-Dichloro-2-methoxy[1,1'-biphenyl]-3-carboxylic acidMFCD18321870DTXSID006912353-(2,5-dichlorophenyl)-2-methoxy-benzoic acid3-(2,5-Dichlorophenyl)-2-methoxybenzoic acid, 95%
Database identifiers
- CAS
1261939-70-1- PubChem CID
- 53227702
- DTXSID
DTXSID00691235
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 324
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Compound notes
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