2,3,6-Trichlorophenoxyacetic acid
Basic information
- CAS
4007-00-5- Standard SMILES
O=C(O)COc1c(Cl)ccc(Cl)c1Cl- InChIKey
GQOHYQAHKDLXCV-UHFFFAOYSA-N- Molecular formula
- C8H5Cl3O3
- Average molar mass
- 255.5 g/mol
- Monoisotopic mass
- 253.930427
Names & identifiers
- Preferred name
- 2,3,6-Trichlorophenoxyacetic acid
- IUPAC
- 2-(2,3,6-trichlorophenoxy)acetic acid
Names & synonyms
2,3,6-Trichlorophenoxyacetic acid(2,3,6-Trichlorophenoxy)acetic acid4007-00-5Acetic acid, (2,3,6-trichlorophenoxy)-SCHEMBL30435946DTXSID70193130
Database identifiers
- CAS
4007-00-5- PubChem CID
- 77625
- DTXSID
DTXSID70193130- Nikkaji
- J2.226.474E
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 212
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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