Basic information
- CAS
128500-58-3- Standard SMILES
COc1ccc([N+](=O)[O-])cc1NC(=O)CC(=O)c1ccccc1- InChIKey
ZEAVQYGCBBNOHZ-UHFFFAOYSA-N- Molecular formula
- C16H14N2O5
- Average molar mass
- 314.29 g/mol
- Monoisotopic mass
- 314.09027155
Names & identifiers
- Preferred name
- N-(2-Methoxy-5-nitrophenyl)-benzoylacetamide
- IUPAC
- N-(2-methoxy-5-nitrophenyl)-3-oxo-3-phenylpropanamide
Names & synonyms
N-(2-METHOXY-5-NITROPHENYL)-BENZOYLACETAMIDE128500-58-3RefChem:825531654-345-2N-(2-methoxy-5-nitrophenyl)-3-oxo-3-phenylpropanamideNSC97581NSC-97581AKOS024323151
Database identifiers
- CAS
128500-58-3- PubChem CID
- 263200
- EC Number
- 654-345-2
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 442
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 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 CategoriesEye Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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