4-BR-2-(2-((4-Ethoxyanilino)(oxo)acetyl)carbohydrazonoyl)phenyl 4-chlorobenzoate
Basic information
- CAS
765911-01-1- Standard SMILES
CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(Cl)cc2)cc1- InChIKey
XRGXFTBAZSTTFK-MZJWZYIUSA-N- Molecular formula
- C24H19BrClN3O5
- Average molar mass
- 544.8 g/mol
- Monoisotopic mass
- 543.01966
Names & identifiers
- Preferred name
- 4-BR-2-(2-((4-Ethoxyanilino)(oxo)acetyl)carbohydrazonoyl)phenyl 4-chlorobenzoate
- IUPAC
- [4-bromo-2-[(E)-[[2-(4-ethoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Names & synonyms
765911-01-1RefChem:5186964-BR-2-(2-((4-Ethoxyanilino)(oxo)acetyl)carbohydrazonoyl)phenyl 4-chlorobenzoate649-843-14-Bromo-2-((2-(2-((4-ethoxyphenyl)amino)-2-oxoacetyl)hydrazono)methyl)phenyl 4-chlorobenzoateAKOS0244151624-bromo-2-((E)-{[(4-ethoxyanilino)(oxo)acetyl]hydrazono}methyl)phenyl 4-chlorobenzoate
Database identifiers
- CAS
765911-01-1- PubChem CID
- 9621176
- EC Number
- 649-843-1
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 723
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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