Basic information
- CAS
769156-69-6- Standard SMILES
COc1cccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2C)c1- InChIKey
RNNUYLOFZYPULY-VULFUBBASA-N- Molecular formula
- C24H20BrN3O5
- Average molar mass
- 510.3 g/mol
- Monoisotopic mass
- 509.05863
Names & identifiers
- Preferred name
- 4-BR-2-(2-((3-Methoxyanilino)(oxo)AC)carbohydrazonoyl)phenyl 2-methylbenzoate
- IUPAC
- [4-bromo-2-[(E)-[[2-(3-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-methylbenzoate
Names & synonyms
769156-69-6RefChem:5186804-BR-2-(2-((3-Methoxyanilino)(oxo)AC)carbohydrazonoyl)phenyl 2-methylbenzoate643-180-14-Bromo-2-((2-(2-((3-methoxyphenyl)amino)-2-oxoacetyl)hydrazono)methyl)phenyl 2-methylbenzoateAKOS0244158204-bromo-2-((E)-{[(3-methoxyanilino)(oxo)acetyl]hydrazono}methyl)phenyl 2-methylbenzoate
Database identifiers
- CAS
769156-69-6- PubChem CID
- 9687692
- EC Number
- 643-180-1
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 718
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
Warning
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, 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. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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