2,5-Dichloro-3,6-dimethylbenzoic acid
Basic information
- CAS
38319-81-2- Standard SMILES
Cc1cc(Cl)c(C)c(C(=O)O)c1Cl- InChIKey
MXCLKQOSGWYNNM-UHFFFAOYSA-N- Molecular formula
- C9H8Cl2O2
- Average molar mass
- 219.06 g/mol
- Monoisotopic mass
- 217.9901349
Names & identifiers
- Preferred name
- 2,5-Dichloro-3,6-dimethylbenzoic acid
- IUPAC
- 2,5-dichloro-3,6-dimethylbenzoic acid
Names & synonyms
38319-81-22,5-dichloro-3,6-dimethylbenzoic acidNSC141509SCHEMBL10909752DTXSID80301163NSC-1415092,5-dichloro-3,6-dimethyl-benzoic acidDS-003699
Database identifiers
- CAS
38319-81-2- PubChem CID
- 284980
- DTXSID
DTXSID80301163
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 208
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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