Basic information
- CAS
12002-27-6- Standard SMILES
O=C(O)c1c(Cl)cc(Cl)cc1Cl.O=C(O)c1c(Cl)cccc1Cl.O=C(O)c1ccc(Cl)cc1.O=C(O)c1ccc(Cl)cc1Cl- InChIKey
AHEKUTUWCVGJRX-UHFFFAOYSA-N- Molecular formula
- C28H16Cl8O8
- Average molar mass
- 764 g/mol
- Monoisotopic mass
- 759.835339
Names & identifiers
- Preferred name
- CID 25486
- IUPAC
- 4-chlorobenzoic acid;2,4-dichlorobenzoic acid;2,6-dichlorobenzoic acid;2,4,6-trichlorobenzoic acid
Names & synonyms
12002-27-64-chlorobenzoic acid;2,4-dichlorobenzoic acid;2,6-dichlorobenzoic acid;2,4,6-trichlorobenzoic acid
Database identifiers
- CAS
12002-27-6- PubChem CID
- 25486
Properties
Computed structural properties
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 612
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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