Basic information
- CAS
680215-21-8- Standard SMILES
CCc1cccc(C)c1NC(=O)C(Cl)=C(Cl)C(=O)O- InChIKey
CEJAFXRNLBHTRO-UHFFFAOYSA-N- Molecular formula
- C13H13Cl2NO3
- Average molar mass
- 302.15 g/mol
- Monoisotopic mass
- 301.0272487
Names & identifiers
- Preferred name
- 2,3-Dichloro-4-[(2-ethyl-6-methylphenyl)amino]-4-oxo-2-butenoic acid
- IUPAC
- 2,3-dichloro-4-(2-ethyl-6-methylanilino)-4-oxobut-2-enoic acid
Names & synonyms
680215-21-82,3-dichloro-4-(2-ethyl-6-methylanilino)-4-oxobut-2-enoic acid2-Butenoic acid, 2,3-dichloro-4-[(2-ethyl-6-methylphenyl)amino]-4-oxo-DTXSID9011599482,3-Dichloro-4-[(2-ethyl-6-methylphenyl)amino]-4-oxo-2-butenoic acid
Database identifiers
- CAS
680215-21-8- PubChem CID
- 358779
- DTXSID
DTXSID901159948
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 395
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…