4-BR-2-(2-((2,5-Dichloroanilino)(oxo)AC)carbohydrazonoyl)phenyl 3-phenylacrylate
Basic information
- CAS
881459-54-7- Standard SMILES
O=C(/C=C/c1ccccc1)Oc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1cc(Cl)ccc1Cl- InChIKey
HPHITAHXLFQASA-VJZBGCAWSA-N- Molecular formula
- C24H16BrCl2N3O4
- Average molar mass
- 561.2 g/mol
- Monoisotopic mass
- 558.97012
Names & identifiers
- Preferred name
- 4-BR-2-(2-((2,5-Dichloroanilino)(oxo)AC)carbohydrazonoyl)phenyl 3-phenylacrylate
- IUPAC
- [4-bromo-2-[(E)-[[2-(2,5-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
- English name
- 4-Br-2-(2-((2,5-dichloroanilino)(oxo)Ac)carbohydrazonoyl)phenyl 3-phenylacrylate
- Molecular formula
- C24H16BrCl2N3O4
- Molecular weight
- 561.21
Names & synonyms
AKOS0244096734-BR-2-(2-((2,5-DICHLOROANILINO)(OXO)AC)CARBOHYDRAZONOYL)PHENYL 3-PHENYLACRYLATE2-Propenoic acid, 3-phenyl-, 4-bromo-2-[[2-[2-[(2,5-dichlorophenyl)amino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl ester
Database identifiers
- CAS
881459-54-7- PubChem CID
- 9607421
- EC Number
- 128-110-5
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 96.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 775
Physicochemical properties
- Density
- 1.49 · 1.490±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.315 · 9.315±0.46(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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