4-BR-2-(2-(((3-Methylbenzoyl)amino)AC)carbohydrazonoyl)phenyl 2-chlorobenzoate
Basic information
- CAS
769150-29-0- Standard SMILES
Cc1cccc(C(=O)NCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2Cl)c1- InChIKey
DMZBMLBRGVHTEI-XODNFHPESA-N- Molecular formula
- C24H19BrClN3O4
- Average molar mass
- 528.8 g/mol
- Monoisotopic mass
- 527.02475
Names & identifiers
- Preferred name
- 4-BR-2-(2-(((3-Methylbenzoyl)amino)AC)carbohydrazonoyl)phenyl 2-chlorobenzoate
- IUPAC
- [4-bromo-2-[(E)-[[2-[(3-methylbenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
Names & synonyms
4-BR-2-(2-(((3-METHYLBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATERefChem:518619769150-29-0643-738-4AKOS024415446
Database identifiers
- CAS
769150-29-0- PubChem CID
- 9607863
- EC Number
- 643-738-4
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 96.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 722
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, 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 CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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