Basic information
- CAS
69011-12-7- Standard SMILES
CCCCO.O=C(O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)O- InChIKey
ZRIFDEDKLQNHFO-UHFFFAOYSA-N- Molecular formula
- C12H12Cl4O5
- Average molar mass
- 378 g/mol
- Monoisotopic mass
- 375.943884
Names & identifiers
- Preferred name
- Butan-1-ol;3,4,5,6-tetrachlorophthalic acid
- IUPAC
- butan-1-ol;3,4,5,6-tetrachlorophthalic acid
Database identifiers
- CAS
69011-12-7- PubChem CID
- 112231
Properties
Computed structural properties
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 294
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…