Basic information
- CAS
6417-43-2- Standard SMILES
O=C(O)COc1cc(Cl)c(Cl)cc1Cl.OCCNCCO- InChIKey
QKBDWMJBSCEOOL-UHFFFAOYSA-N- Molecular formula
- C12H16Cl3NO5
- Average molar mass
- 360.6 g/mol
- Monoisotopic mass
- 359.009406
Names & identifiers
- Preferred name
- Bis(2-hydroxyethyl)ammonium 2,4,5-trichlorophenoxyacetate
- IUPAC
- 2-(2-hydroxyethylamino)ethanol;2-(2,4,5-trichlorophenoxy)acetic acid
Names & synonyms
6417-43-2EINECS 229-138-1Bis(2-hydroxyethyl)ammonium 2,4,5-trichlorophenoxyacetateDTXSID50982680QKBDWMJBSCEOOL-UHFFFAOYSA-N(2,4,5-Trichlorophenoxy)acetic acid--2,2'-azanediyldi(ethan-1-ol) (1/1)
Database identifiers
- CAS
6417-43-2- PubChem CID
- 80873
- DTXSID
DTXSID50982680- EC Number
- 229-138-1
Properties
Computed structural properties
- Topological polar surface area
- 99 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 241
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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