4,4'-Dichlorodiphenic acid
Basic information
- CAS
54389-65-0- Standard SMILES
O=C(O)c1cc(Cl)ccc1-c1ccc(Cl)cc1C(=O)O- InChIKey
QODNHPKXKPBBTG-UHFFFAOYSA-N- Molecular formula
- C14H8Cl2O4
- Average molar mass
- 311.1 g/mol
- Monoisotopic mass
- 309.9799641
Names & identifiers
- Preferred name
- 4,4'-Dichlorodiphenic acid
- IUPAC
- 2-(2-carboxy-4-chlorophenyl)-5-chlorobenzoic acid
- English name
- 4,4'-Dichlorodiphenic acid
- Molecular formula
- C14H8Cl2O4
- Molecular weight
- 311.12
Names & synonyms
54389-65-04,4'-DICHLORODIPHENIC ACID4,4'-dichloro-diphenic acid4,4'-Dichloro-[1,1'-biphenyl]-2,2'-dicarboxylic acid2-(2-carboxy-4-chlorophenyl)-5-chlorobenzoic acid4,4'-dichlorobiphenyl-2,2'-dicarboxylic acidNSC1322424,4\'-Dichlorodiphenic acidorb3213171SCHEMBL19514758DTXSID30969499NSC-132242
Show more names
4,4'-Dichlorodiphenicacid[1,1'-Biphenyl]-2,2'-dicarboxylic acid, 4,4'-dichloro-
SB66290DB-0034464,4'-Dichloro-[1,1'-biphenyl]-2,2'-dicarboxylicacid4,4'-Dichloro[1,1'-biphenyl]-2,2'-dicarboxylic acid
Database identifiers
- CAS
54389-65-0- PubChem CID
- 280497
- DTXSID
DTXSID30969499- Nikkaji
- J2.818.182E
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 351
Physicochemical properties
- Melting point
- 264 · 264-265 °C
- Boiling point
- 458.6 · 458.6±40.0 °C(Predicted)
- Density
- 1.527 · 1.527±0.06 g/cm3(Predicted)
- pka
- 3.05 · 3.05±0.36(Predicted)
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Related reactions
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Compound notes
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