Basic information
- CAS
93215-69-1- Standard SMILES
O=Cc1cc(Cl)c(Cl)c(Cl)c1O- InChIKey
ANYFLEKYWKDBDE-UHFFFAOYSA-N- Molecular formula
- C7H3Cl3O2
- Average molar mass
- 225.5 g/mol
- Monoisotopic mass
- 223.919862
Names & identifiers
- Preferred name
- Benzaldehyde, 3,4,5-trichloro-2-hydroxy
- IUPAC
- 3,4,5-trichloro-2-hydroxybenzaldehyde
Names & synonyms
Benzaldehyde, 3,4,5-trichloro-2-hydroxy93215-69-1Benzaldehyde, 3,4,5-trichloro-2-hydroxy-3,4,5-trichloro-2-hydroxybenzaldehydeSCHEMBL6601947DTXSID80336011ANYFLEKYWKDBDE-UHFFFAOYSA-N3,4,5-Trichloro-2-hydroxy-benzaldehyde
Database identifiers
- CAS
93215-69-1- PubChem CID
- 528384
- DTXSID
DTXSID80336011
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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