Basic information
- CAS
7418-44-2- Standard SMILES
CC(=O)Nc1ccc(C(C)=O)cc1[N+](=O)[O-]- InChIKey
AQEFIRMOFYNFKT-UHFFFAOYSA-N- Molecular formula
- C10H10N2O4
- Average molar mass
- 222.2 g/mol
- Monoisotopic mass
- 222.0640568
Names & identifiers
- Preferred name
- n-(4-Acetyl-2-nitrophenyl)acetamide
- IUPAC
- N-(4-acetyl-2-nitrophenyl)acetamide
- English name
- 4-ACETAMIDO-3-NITROACETOPHENONE
- Molecular formula
- C10H10N2O4
- Molecular weight
- 222.2
Names & synonyms
n-(4-acetyl-2-nitrophenyl)acetamide7418-44-2NSC145005SCHEMBL2643864SCHEMBL29793669DTXSID30995652AQEFIRMOFYNFKT-UHFFFAOYSA-NAKOS025150630N-(4-acetyl-2-nitro-phenyl)acetamideNSC-145005N-(4-Acetyl-2-nitrophenyl)ethanimidic acidCS-0367945
Show more names
4-ACETAMIDO-3-NITROACETOPHENONEAcetamide, N-(4-acetyl-2-nitrophenyl)-
Database identifiers
- CAS
7418-44-2- PubChem CID
- 286549
- DTXSID
DTXSID30995652- Nikkaji
- J2.442.127I
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 92 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 310
Physicochemical properties
- Melting point
- 139 °C · 139 °C(Solv: ethanol (64-17-5))
- Boiling point
- 417.3 · 417.3±35.0 °C(Predicted)
- Density
- 1.339 · 1.339±0.06 g/cm3(Predicted)
- pka
- 13.3 · 13.30±0.70(Predicted)
Chemistry & industry
Suppliers6 total
成都思天德生物科技有限公司028-83243028 19136088901 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
苏州诺欧曼生物科技有限公司15026866316 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
湖北偕丰医药科技有限公司2383948258 19172820304 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
Related reactions
3 records
Compound notes
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