(E)-4-oxo-4-(2,4,5-trichloroanilino)-2-butenoic acid
Basic information
- CAS
31460-72-7- Standard SMILES
O=C(O)/C=C/C(=O)Nc1cc(Cl)c(Cl)cc1Cl- InChIKey
DSSMWFQGSGULFH-OWOJBTEDSA-N- Molecular formula
- C10H6Cl3NO3
- Average molar mass
- 294.5 g/mol
- Monoisotopic mass
- 292.941326
Names & identifiers
- Preferred name
- (E)-4-oxo-4-(2,4,5-trichloroanilino)-2-butenoic acid
- IUPAC
- (E)-4-oxo-4-(2,4,5-trichloroanilino)but-2-enoic acid
Names & synonyms
31460-72-7(E)-4-oxo-4-(2,4,5-trichloroanilino)-2-butenoic acid(E)-4-oxo-4-(2,4,5-trichloroanilino)but-2-enoic acid(E)-4-oxo-4-((2,4,5-trichlorophenyl)amino)but-2-enoic acid1081849-32-2Maleanilic acid,2',4',5'-trichloro- (6CI,8CI)NSC137042STK053107AKOS000489408NSC-137042CS-0363124SR-01000234979
Show more names
SR-01000234979-1(2E)-4-oxo-4-[(2,4,5-trichlorophenyl)amino]but-2-enoic acid
Database identifiers
- CAS
31460-72-7- PubChem CID
- 706209
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 335
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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