5-((4-Chlorobenzoyl)oxy)-2-(2-(4-methylbenzoyl)carbohydrazonoyl)PH 4-CL-benzoate
Basic information
- CAS
764653-71-6- Standard SMILES
Cc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2OC(=O)c2ccc(Cl)cc2)cc1- InChIKey
CMKNJUQCJUICAV-VTNSRFBWSA-N- Molecular formula
- C29H20Cl2N2O5
- Average molar mass
- 547.4 g/mol
- Monoisotopic mass
- 546.0749271
Names & identifiers
- Preferred name
- 5-((4-Chlorobenzoyl)oxy)-2-(2-(4-methylbenzoyl)carbohydrazonoyl)PH 4-CL-benzoate
- IUPAC
- [3-(4-chlorobenzoyl)oxy-4-[(E)-[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Names & synonyms
5-((4-CHLOROBENZOYL)OXY)-2-(2-(4-METHYLBENZOYL)CARBOHYDRAZONOYL)PH 4-CL-BENZOATERefChem:528677645-216-1764653-71-6AKOS024416559
Database identifiers
- CAS
764653-71-6- PubChem CID
- 9687972
- EC Number
- 645-216-1
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 94.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 831
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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