Basic information
- CAS
50648-96-9- Standard SMILES
CC(NC(=O)COc1ccc(Cl)cc1Cl)C(=O)O- InChIKey
SHQGIYUBFHJOPP-UHFFFAOYSA-N- Molecular formula
- C11H11Cl2NO4
- Average molar mass
- 292.11 g/mol
- Monoisotopic mass
- 291.00651319
Names & identifiers
- Preferred name
- N-((2,4-Dichlorophenoxy)acetyl)-L-alanine
- IUPAC
- 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanoic acid
Names & synonyms
N-((2,4-Dichlorophenoxy)acetyl)-L-alanineCCRIS 570050648-96-9L-ALANINE, N-((2,4-DICHLOROPHENOXY)ACETYL)-L-Alanine, N-[(2,4-dichlorophenoxy)acetyl]-N.alpha.-(2,4-D)-L-AlanineRefChem:359568Nalpha-(2,4-D)-L-AlanineSHQGIYUBFHJOPP-LURJTMIESA-N2,4-Dichlorophenoxyacetylalanine879123-74-72-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanoic acid
Show more names
CBKinase1_000058CBKinase1_012458Cambridge id 5237379Oprea1_120227DTXSID701032388AKOS002261683AKOS016051034ST50181670
Database identifiers
- CAS
50648-96-9- PubChem CID
- 39753
- DTXSID
DTXSID701032388
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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