Basic information
- CAS
5211-45-0- Standard SMILES
O=C(O)c1c(F)c(F)c(Cl)c(F)c1F- InChIKey
ZFQCNEAYPFEVPZ-UHFFFAOYSA-N- Molecular formula
- C7HClF4O2
- Average molar mass
- 228.53 g/mol
- Monoisotopic mass
- 227.9601196
Names & identifiers
- Preferred name
- Benzoic acid, 4-chloro-2,3,5,6-tetrafluoro-
- IUPAC
- 4-chloro-2,3,5,6-tetrafluorobenzoic acid
Names & synonyms
Benzoic acid, 4-chloro-2,3,5,6-tetrafluoro-5211-45-0DTXSID20451772RefChem:327560DTXCID104025914-chloro-2,3,5,6-tetrafluorobenzoic acidSCHEMBL26364830
Database identifiers
- CAS
5211-45-0- PubChem CID
- 11009727
- DTXSID
DTXSID20451772- Nikkaji
- J1.147.634A
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 224
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…