Basic information
- CAS
23602-65-5- Standard SMILES
O=Cc1c(O)c(Cl)cc(Cl)c1Cl- InChIKey
RYRVYDUIKGEEDW-UHFFFAOYSA-N- Molecular formula
- C7H3Cl3O2
- Average molar mass
- 225.5 g/mol
- Monoisotopic mass
- 223.919862
Names & identifiers
- Preferred name
- 2,3,5-Trichloro-6-hydroxybenzaldehyde
- IUPAC
- 2,3,5-trichloro-6-hydroxybenzaldehyde
Names & synonyms
2,3,5-trichloro-6-hydroxybenzaldehyde23602-65-53,5,6-trichlorosalicylaldehyde1-Propylnonyl cyclopropanecarboxylateBenzaldehyde, 2,3,5-trichloro-6-hydroxy-CHEMBL273382SCHEMBL3965313DTXSID40336012RYRVYDUIKGEEDW-UHFFFAOYSA-NAKOS0116680642,3,5-Trichloro-6-hydroxy-benzaldehydeBenzaldehyde, 3,5,6-trichloro-2-hydroxy
Show more names
EN300-12769092,3,5-Trichloro-6-hydroxybenzaldehyde (ACI); Salicylaldehyde, 3,5,6-trichloro- (8CI); 2-Hydroxy-3,5,6-trichlorobenzaldehyde; 3,5,6-Trichloro-2-hydroxybenzaldehyde; 3,5,6-Trichlorosalicylaldehyde
Database identifiers
- CAS
23602-65-5- PubChem CID
- 528387
- DTXSID
DTXSID40336012- ChEMBL
CHEMBL273382- Nikkaji
- J1.667.993C
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 176
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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