4-Bromo-2-(2-((4-methylphenyl)sulfonyl)carbohydrazonoyl)phenyl 4-methoxybenzoate
Basic information
- CAS
769149-91-9- Standard SMILES
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NS(=O)(=O)c2ccc(C)cc2)cc1- InChIKey
HIJSKYITEZHEOR-ZVHZXABRSA-N- Molecular formula
- C22H19BrN2O5S
- Average molar mass
- 503.4 g/mol
- Monoisotopic mass
- 502.01981
Names & identifiers
- Preferred name
- 4-Bromo-2-(2-((4-methylphenyl)sulfonyl)carbohydrazonoyl)phenyl 4-methoxybenzoate
- IUPAC
- [4-bromo-2-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]phenyl] 4-methoxybenzoate
Names & synonyms
769149-91-9RefChem:5192704-Bromo-2-(2-((4-methylphenyl)sulfonyl)carbohydrazonoyl)phenyl 4-methoxybenzoate643-909-3AKOS0244154964-bromo-2-((E)-{[(4-methylphenyl)sulfonyl]hydrazono}methyl)phenyl 4-methoxybenzoate
Database identifiers
- CAS
769149-91-9- PubChem CID
- 9637511
- EC Number
- 643-909-3
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 710
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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