Basic information
- CAS
108545-01-3- Standard SMILES
COc1c(O)cc(Cl)c(C=O)c1Cl- InChIKey
OGXZXBMHIPXAKG-UHFFFAOYSA-N- Molecular formula
- C8H6Cl2O3
- Average molar mass
- 221.03 g/mol
- Monoisotopic mass
- 219.9693994
Names & identifiers
- Preferred name
- Benzaldehyde, 2,6-dichloro-4-hydroxy-3-methoxy-
- IUPAC
- 2,6-dichloro-4-hydroxy-3-methoxybenzaldehyde
Names & synonyms
Benzaldehyde, 2,6-dichloro-4-hydroxy-3-methoxy-108545-01-32,6-Dichlorovanillin2,6-dichloro-4-hydroxy-3-methoxybenzaldehyde2,6-dichloro-4-hydroxy-3-methoxy-benzaldehydeDTXSID10148583
Database identifiers
- CAS
108545-01-3- PubChem CID
- 86286
- DTXSID
DTXSID10148583- Nikkaji
- J451.255C
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 188
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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