4-(2-(Anilino(oxo)acetyl)carbohydrazonoyl)-2-methoxyphenyl 2-chlorobenzoate
Basic information
- CAS
769157-21-3- Standard SMILES
COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2)ccc1OC(=O)c1ccccc1Cl- InChIKey
LROZLTGHHLHANK-AFUMVMLFSA-N- Molecular formula
- C23H18ClN3O5
- Average molar mass
- 451.9 g/mol
- Monoisotopic mass
- 451.0934984
Names & identifiers
- Preferred name
- 4-(2-(Anilino(oxo)acetyl)carbohydrazonoyl)-2-methoxyphenyl 2-chlorobenzoate
- IUPAC
- [4-[(E)-[(2-anilino-2-oxoacetyl)hydrazinylidene]methyl]-2-methoxyphenyl] 2-chlorobenzoate
- English name
- SALOR-INT L398977-1EA
- Molecular formula
- C23H18ClN3O5
- Molecular weight
- 451.86
Names & synonyms
4-(2-(ANILINO(OXO)ACETYL)CARBOHYDRAZONOYL)-2-METHOXYPHENYL 2-CHLOROBENZOATERefChem:511933769157-21-3643-642-2AKOS024415781SALOR-INT L398977-1EA
Database identifiers
- CAS
769157-21-3- PubChem CID
- 9688549
- EC Number
- 643-642-2
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 683
Physicochemical properties
- Density
- 1.312 · 1.312±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.073 · 10.073±0.46(predicted)
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 410 · H410
- Precautionary statements
- 273 · P273-P391-P501
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H410
- Precautionary statements
- P273-P391-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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