Basic information
- CAS
1846-34-0- Standard SMILES
CC(=O)NCC(=O)c1ccc([N+](=O)[O-])cc1- InChIKey
JZXFEEAAHUBNQT-UHFFFAOYSA-N- Molecular formula
- C10H10N2O4
- Average molar mass
- 222.2 g/mol
- Monoisotopic mass
- 222.0640568
Names & identifiers
- Preferred name
- n-[2-(4-Nitrophenyl)-2-oxoethyl]acetamide
- IUPAC
- N-[2-(4-nitrophenyl)-2-oxoethyl]acetamide
- English name
- 2-Acetamido-4'-nitroacetophenone
- Molecular formula
- C10H10N2O4
- Molecular weight
- 222.2
Names & synonyms
n-[2-(4-nitrophenyl)-2-oxoethyl]acetamideNSC15047Oprea1_087718SCHEMBL4472065ALBB-035549NSC60399p-nitro-alpha-acetylaminoacetophenoneNSC-15047NSC-60399AKOS023249378N-(4PR-NITROPHENACYL)-ACETAMIDEH48481
Show more names
2-Acetamido-4'-nitroacetophenone
Acetamide, N-[2-(4-nitrophenyl)-2-oxoethyl]-
Database identifiers
- CAS
1846-34-0- PubChem CID
- 225520
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 92 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 290
Physicochemical properties
- Melting point
- 161 · 161-163 °C
- Boiling point
- 477.1 · 477.1±25.0 °C(Predicted)
- Density
- 1.293 · 1.293±0.06 g/cm3(Predicted)
- pka
- 14.13 · 14.13±0.46(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…