Basic information
- CAS
477728-95-3- Standard SMILES
Cc1ccccc1OCC(=O)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1- InChIKey
CGXXUCPTLFOUCH-AFUMVMLFSA-N- Molecular formula
- C23H19ClN2O4
- Average molar mass
- 422.9 g/mol
- Monoisotopic mass
- 422.1033348
Names & identifiers
- Preferred name
- 3-(2-((2-Methylphenoxy)acetyl)carbohydrazonoyl)phenyl 4-chlorobenzoate
- IUPAC
- [3-[(E)-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Names & synonyms
3-(2-((2-METHYLPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATERefChem:490222477728-95-3646-440-2AKOS024408064
Database identifiers
- CAS
477728-95-3- PubChem CID
- 9670710
- EC Number
- 646-440-2
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 77 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 592
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
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, 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 CategoriesSkin Sens. 1 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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