N-(2-Chlorophenyl)-3,4,5-trimethoxybenzamide
Basic information
- CAS
6597-35-9- Standard SMILES
COc1cc(C(=O)Nc2ccccc2Cl)cc(OC)c1OC- InChIKey
XXKFIILUUJFHPS-UHFFFAOYSA-N- Molecular formula
- C16H16ClNO4
- Average molar mass
- 321.75 g/mol
- Monoisotopic mass
- 321.0767857
Names & identifiers
- Preferred name
- N-(2-Chlorophenyl)-3,4,5-trimethoxybenzamide
- IUPAC
- N-(2-chlorophenyl)-3,4,5-trimethoxybenzamide
Names & synonyms
N-(2-chlorophenyl)-3,4,5-trimethoxybenzamide6597-35-9RefChem:825266660-590-6Oprea1_025020STK413092AKOS001596907ST080125EU-0068688AH-034/07291059SR-01000404728SR-01000404728-1
Show more names
N-(2-chlorophenyl)(3,4,5-trimethoxyphenyl)carboxamide
Database identifiers
- CAS
6597-35-9- PubChem CID
- 678635
- EC Number
- 660-590-6
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 56.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 354
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.
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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