2-(2,5-Dichlorophenyl)-5-methylbenzoic acid
Basic information
- CAS
1181626-98-1- Standard SMILES
Cc1ccc(-c2cc(Cl)ccc2Cl)c(C(=O)O)c1- InChIKey
RYSIQUOTWSQIII-UHFFFAOYSA-N- Molecular formula
- C14H10Cl2O2
- Average molar mass
- 281.1 g/mol
- Monoisotopic mass
- 280.0057849
Names & identifiers
- Preferred name
- 2-(2,5-Dichlorophenyl)-5-methylbenzoic acid
- IUPAC
- 2-(2,5-dichlorophenyl)-5-methylbenzoic acid
Names & synonyms
1181626-98-12-(2,5-DICHLOROPHENYL)-5-METHYLBENZOIC ACID2',5'-Dichloro-4-methyl-[1,1'-biphenyl]-2-carboxylic acidMFCD11933801DTXSID90653544AKOS0175658522-(2,5-dichlorophenyl)-5-methyl-benzoic acid2-(2,5-Dichlorophenyl)-5-methylbenzoic acid, 95%2',5'-Dichloro-4-methyl[1,1'-biphenyl]-2-carboxylic acid
Database identifiers
- CAS
1181626-98-1- PubChem CID
- 39233170
- DTXSID
DTXSID90653544
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 308
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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