Basic information
- CAS
16346-60-4- Standard SMILES
O=C(Nc1ccc([N+](=O)[O-])cc1)C(Cl)Cl- InChIKey
VUPKZANRZKUIHF-UHFFFAOYSA-N- Molecular formula
- C8H6Cl2N2O3
- Average molar mass
- 249.05 g/mol
- Monoisotopic mass
- 247.9755474
Names & identifiers
- Preferred name
- 2,2-Dichloro-N-(4-nitrophenyl)acetamide
- IUPAC
- 2,2-dichloro-N-(4-nitrophenyl)acetamide
- English name
- 2,2-dichloro-N-(4-nitrophenyl)acetamide
- Molecular formula
- C8H6Cl2N2O3
- Molecular weight
- 249.05
Names & synonyms
2,2-Dichloro-N-(4-nitrophenyl)acetamide16346-60-4DTXSID50344401RefChem:243191DTXCID20295476Acetamide, 2,2-dichloro-N-(4-nitrophenyl)-CHEMBL1241001SCHEMBL29194039VUPKZANRZKUIHF-UHFFFAOYSA-NAKOS0029540732,2-Dichloro-N-(4-nitrophenyl)acetamide #ST50687974
Database identifiers
- CAS
16346-60-4- PubChem CID
- 596603
- DTXSID
DTXSID50344401- ChEMBL
CHEMBL1241001
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 247
Physicochemical properties
- Melting point
- 127 °C · 127 °C
- Boiling point
- 436.4 · 436.4±45.0 °C(Predicted)
- Density
- 1.581 · 1.581±0.06 g/cm3(Predicted)
- pka
- 9.99 · 9.99±0.70(Predicted)
Chemistry & industry
Suppliers2 total
Alinda Chemical Ltd.+7 (495) 672-17-08 · [email protected]
广州市震霖医药科技有限公司020-18102736 13622807357 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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