4-Bromo-2-(2-((decanoylamino)acetyl)carbohydrazonoyl)phenyl 4-chlorobenzoate
Basic information
- CAS
767289-38-3- Standard SMILES
CCCCCCCCCC(=O)NCC(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1- InChIKey
BFGNDGMQKNEBPI-OCSSWDANSA-N- Molecular formula
- C26H31BrClN3O4
- Average molar mass
- 564.9 g/mol
- Monoisotopic mass
- 563.11865
Names & identifiers
- Preferred name
- 4-Bromo-2-(2-((decanoylamino)acetyl)carbohydrazonoyl)phenyl 4-chlorobenzoate
- IUPAC
- [4-bromo-2-[(E)-[[2-(decanoylamino)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
- English name
- SALOR-INT L393479-1EA
- Molecular formula
- C26H31BrClN3O4
- Molecular weight
- 564.9
Names & synonyms
767289-38-34-BROMO-2-(2-((DECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATERefChem:519276643-994-7AKOS024415329SALOR-INT L393479-1EA[4-bromo-2-[(E)-[[2-(decanoylamino)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Database identifiers
- CAS
767289-38-3- PubChem CID
- 9639701
- EC Number
- 643-994-7
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 96.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 15
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 686
Physicochemical properties
- Density
- 1.323 · 1.323±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.928 · 11.928±0.46(predicted)
- Hazard statements
- 413 · H413
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%)
Safety data
- Hazard statements
- H413
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…