Basic information
- CAS
53404-90-3- Standard SMILES
N.O=C(O)Cc1c(Cl)ccc(Cl)c1Cl- InChIKey
DZRJBVFMFCMALE-UHFFFAOYSA-N- Molecular formula
- C8H8Cl3NO2
- Average molar mass
- 256.5 g/mol
- Monoisotopic mass
- 254.962062
Names & identifiers
- Preferred name
- Ammonium 2,3,6-trichlorophenylacetate
- IUPAC
- azane;2-(2,3,6-trichlorophenyl)acetic acid
Names & synonyms
Chlorfenac-ammoniumAmmonium 2,3,6-trichlorophenylacetateAmmonium chlorfenac53404-90-32,3,6-Trichlorobenzeneacetic acid ammonium salt2,3,6-Trichlorophenylacetic acid, ammonium saltCaswell No. 882A1HNL8Y2B2BUNII-1HNL8Y2B2BEPA Pesticide Chemical Code 082606Benzeneacetic acid, 2,3,6-trichloro-, ammonium saltSCHEMBL2688772
Show more names
DTXSID5075022SCHEMBL25360718(2,3,6-Trichlorophenyl)acetic acid--ammonia (1/1)Q27252429
Database identifiers
- CAS
53404-90-3- PubChem CID
- 62057
- DTXSID
DTXSID5075022
Properties
Computed structural properties
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 198
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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