3-(2-(2-(4-(Benzyloxy)phenoxy)propanoyl)carbohydrazonoyl)phenyl 4-chlorobenzoate
Basic information
- CAS
477730-22-6- Standard SMILES
CC(Oc1ccc(OCc2ccccc2)cc1)C(=O)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1- InChIKey
HYYIMSMNZPNYDL-BIZUNTBRSA-N- Molecular formula
- C30H25ClN2O5
- Average molar mass
- 529 g/mol
- Monoisotopic mass
- 528.1451996
Names & identifiers
- Preferred name
- 3-(2-(2-(4-(Benzyloxy)phenoxy)propanoyl)carbohydrazonoyl)phenyl 4-chlorobenzoate
- IUPAC
- [3-[(E)-[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Names & synonyms
3-(2-(2-(4-(BENZYLOXY)PHENOXY)PROPANOYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATERefChem:490355477730-22-6647-488-7AKOS024408191
Database identifiers
- CAS
477730-22-6- PubChem CID
- 9670534
- EC Number
- 647-488-7
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 86.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 758
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%)
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Related reactions
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Compound notes
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