Ammonium, benzyltrimethyl-, 2,4,5-trichlorophenoxyacetate
Basic information
- CAS
73680-75-8- Standard SMILES
C[N+](C)(C)Cc1ccccc1.O=C([O-])COc1cc(Cl)c(Cl)cc1Cl- InChIKey
XZKDGCBIIUFIBP-UHFFFAOYSA-M- Molecular formula
- C18H20Cl3NO3
- Average molar mass
- 404.7 g/mol
- Monoisotopic mass
- 403.050877
Names & identifiers
- Preferred name
- Ammonium, benzyltrimethyl-, 2,4,5-trichlorophenoxyacetate
- IUPAC
- benzyl(trimethyl)azanium;2-(2,4,5-trichlorophenoxy)acetate
Names & synonyms
Benzyltrimethylammonium 2,4,5-trichlorophenoxyacetate73680-75-8NSC 221298AMMONIUM, BENZYLTRIMETHYL-, 2,4,5-TRICHLOROPHENOXYACETATEBenzenemethanaminium, N,N,N-trimethyl-, salt with (2,4,5-trichlorophenoxy)acetic acid (1:1)Ammonium, (benzyltrimethyl)-, 2,4,5-(trichlorophenoxy)acetateDTXSID90223943RefChem:319181DTXCID20146434Benzenemethanaminium, N,N,N-trimethyl-, salt with (2,4,5-trichlorophenoxy)acetic acid (1:1) (9CI)NSC-221298L8YC9Y2NCB
Show more names
NSC221298WLN: OV1OR BG DG EG &1K1&1&1R(Benzyltrimethyl)ammonium 2,5-(trichlorophenoxy)acetateN,N,N-trimethyl(phenyl)methanaminium (2,4,5-trichlorophenoxy)acetateBenzenemethanaminium,N,N-trimethyl-, salt with (2,4,5-trichlorophenoxy)acetic acid (1:1)
Database identifiers
- CAS
73680-75-8- PubChem CID
- 52135
- DTXSID
DTXSID90223943- UNII
- L8YC9Y2NCB
Properties
Computed structural properties
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 313
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Related reactions
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Compound notes
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