Basic information
- CAS
7509-64-0- Standard SMILES
O=C(O)c1cccc(Cl)c1-c1c(Cl)cccc1C(=O)O- InChIKey
JPZVFWJNHIWLEB-UHFFFAOYSA-N- Molecular formula
- C14H8Cl2O4
- Average molar mass
- 311.1 g/mol
- Monoisotopic mass
- 309.9799641
Names & identifiers
- Preferred name
- 6,6'-Dichloro[1,1'-biphenyl]-2,2'-dicarboxylic acid
- IUPAC
- 2-(2-carboxy-6-chlorophenyl)-3-chlorobenzoic acid
Names & synonyms
7509-64-0NSC4081496,6'-Dichloro[1,1'-biphenyl]-2,2'-dicarboxylic acidSCHEMBL10905308DTXSID40324994NSC-408149
Database identifiers
- CAS
7509-64-0- PubChem CID
- 348696
- DTXSID
DTXSID40324994- Nikkaji
- J82.020B、J89.350A
Properties
Computed structural properties
- XLogP
- 3.9
- 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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