Basic information
- CAS
314022-69-0- Standard SMILES
COc1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(OC)c1- InChIKey
JSLVMIMWXJUPNC-UHFFFAOYSA-N- Molecular formula
- C15H13ClN2O5
- Average molar mass
- 336.72 g/mol
- Monoisotopic mass
- 336.0512992
Names & identifiers
- Preferred name
- 4-chloro-N-(2,4-dimethoxyphenyl)-3-nitrobenzamide
- IUPAC
- 4-chloro-N-(2,4-dimethoxyphenyl)-3-nitrobenzamide
Names & synonyms
4-chloro-N-(2,4-dimethoxyphenyl)-3-nitrobenzamideOprea1_062335Oprea1_864502314022-69-0STK161796AKOS000604559ST011041EU-0002819AK-968/40122220Z26714504N-(2,4-dimethoxyphenyl)(4-chloro-3-nitrophenyl)carboxamide
Database identifiers
- CAS
314022-69-0- PubChem CID
- 711256
- EC Number
- 140-954-6
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 93.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 431
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)
The GHS information provided by 1 company from 1 notification 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
Loading…