Basic information
- CAS
53404-13-0- Standard SMILES
CC(Oc1cc(Cl)c(Cl)cc1Cl)C(=O)[O-].CC([NH3+])CO- InChIKey
VHWQUDILEMEHBO-UHFFFAOYSA-N- Molecular formula
- C12H16Cl3NO4
- Average molar mass
- 344.6 g/mol
- Monoisotopic mass
- 343.014491
Names & identifiers
- Preferred name
- CID 40753
- IUPAC
- 1-hydroxypropan-2-ylazanium;2-(2,4,5-trichlorophenoxy)propanoate
Names & synonyms
53404-13-01-hydroxypropan-2-ylazanium;2-(2,4,5-trichlorophenoxy)propanoate
Database identifiers
- CAS
53404-13-0- PubChem CID
- 40753
Properties
Computed structural properties
- Topological polar surface area
- 97.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 254
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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