2-(4-Chloro-2-methylphenoxy)propanoic acid;3,6-dichloro-2-methoxybenzoic acid
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Basic information
- CAS
58051-22-2- Standard SMILES
COc1c(Cl)ccc(Cl)c1C(=O)O.Cc1cc(Cl)ccc1OC(C)C(=O)O- InChIKey
NSUMVAORFCDMBK-UHFFFAOYSA-N- Molecular formula
- C18H17Cl3O6
- Average molar mass
- 435.7 g/mol
- Monoisotopic mass
- 434.009071
Names & identifiers
- Preferred name
- 2-(4-Chloro-2-methylphenoxy)propanoic acid;3,6-dichloro-2-methoxybenzoic acid
- IUPAC
- 2-(4-chloro-2-methylphenoxy)propanoic acid;3,6-dichloro-2-methoxybenzoic acid
- English name
- Benzoic acid, 3,6-dichloro-2-methoxy-
- Molecular formula
- C8H6Cl2O3
- Molecular weight
- 221.03744
Names & synonyms
58051-22-2SCHEMBL22440172DTXSID909736332-(4-Chloro-2-methylphenoxy)propanoic acid--3,6-dichloro-2-methoxybenzoic acid (1/1)
Database identifiers
- CAS
58051-22-2- PubChem CID
- 185902
- DTXSID
DTXSID90973633
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 405
Related reactions
0 records
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Compound notes
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