3-Chloro-5-hydroxy-4-methoxybenzoic acid
Basic information
- CAS
80547-63-3- Standard SMILES
COc1c(O)cc(C(=O)O)cc1Cl- InChIKey
UTTKPVKSRXQTLM-UHFFFAOYSA-N- Molecular formula
- C8H7ClO4
- Average molar mass
- 202.59 g/mol
- Monoisotopic mass
- 202.0032864
Names & identifiers
- Preferred name
- 3-Chloro-5-hydroxy-4-methoxybenzoic acid
- IUPAC
- 3-chloro-5-hydroxy-4-methoxybenzoic acid
Names & synonyms
3-chloro-5-hydroxy-4-methoxybenzoic acid80547-63-3DTXSID50513190RefChem:278405DTXCID80463997Benzoic acid, 3-chloro-5-hydroxy-4-methoxy-CHEMBL327180MFCD24483323
Database identifiers
- CAS
80547-63-3- PubChem CID
- 12928009
- DTXSID
DTXSID50513190- ChEMBL
CHEMBL327180
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 197
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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