4-(2-(2-Bromobenzoyl)carbohydrazonoyl)phenyl 3-methylbenzoate
Basic information
- CAS
765274-33-7- Standard SMILES
Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3Br)cc2)c1- InChIKey
WTXYFFVMEQFQNX-ZVHZXABRSA-N- Molecular formula
- C22H17BrN2O3
- Average molar mass
- 437.3 g/mol
- Monoisotopic mass
- 436.04225
Names & identifiers
- Preferred name
- 4-(2-(2-Bromobenzoyl)carbohydrazonoyl)phenyl 3-methylbenzoate
- IUPAC
- [4-[(E)-[(2-bromobenzoyl)hydrazinylidene]methyl]phenyl] 3-methylbenzoate
Names & synonyms
4-(2-(2-BROMOBENZOYL)CARBOHYDRAZONOYL)PHENYL 3-METHYLBENZOATERefChem:511579765274-33-7656-442-5AKOS024416953
Database identifiers
- CAS
765274-33-7- PubChem CID
- 9664705
- EC Number
- 656-442-5
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 560
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
Warning
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, 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. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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