4-BR-2-(2-(((2-Methylbenzoyl)amino)AC)carbohydrazonoyl)phenyl 4-propoxybenzoate
Basic information
- CAS
769151-45-3- Standard SMILES
CCCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)CNC(=O)c2ccccc2C)cc1- InChIKey
RWJJUEPAHBBKFB-OKCVXOCRSA-N- Molecular formula
- C27H26BrN3O5
- Average molar mass
- 552.4 g/mol
- Monoisotopic mass
- 551.10558
Names & identifiers
- Preferred name
- 4-BR-2-(2-(((2-Methylbenzoyl)amino)AC)carbohydrazonoyl)phenyl 4-propoxybenzoate
- IUPAC
- [4-bromo-2-[(E)-[[2-[(2-methylbenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-propoxybenzoate
Names & synonyms
4-BR-2-(2-(((2-METHYLBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATERefChem:518604649-720-2769151-45-3AKOS024415098
Database identifiers
- CAS
769151-45-3- PubChem CID
- 9687776
- EC Number
- 649-720-2
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 756
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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