Basic information
- CAS
32494-80-7- Standard SMILES
O=C(CCl)Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-]- InChIKey
VFWPACKJMNBZMF-UHFFFAOYSA-N- Molecular formula
- C8H6ClN3O5
- Average molar mass
- 259.6 g/mol
- Monoisotopic mass
- 258.999598
Names & identifiers
- Preferred name
- Acetamide, 2-chloro-N-(2,6-dinitrophenyl)-
- IUPAC
- 2-chloro-N-(2,6-dinitrophenyl)acetamide
- English name
- 2-Chloro-N-(2,6-dinitro-phenyl)-acetamide
- Molecular formula
- C8H6ClN3O5
- Molecular weight
- 259.6
Names & synonyms
32494-80-7Acetamide, 2-chloro-N-(2,6-dinitrophenyl)-DTXSID70407527RefChem:314705DTXCID803583792-chloro-N-(2,6-dinitrophenyl)acetamide2-CHLORO-N-(2,6-DINITRO-PHENYL)-ACETAMIDESCHEMBL11103298VFWPACKJMNBZMF-UHFFFAOYSA-N2',6'dinitro-2-chloroacetanilide2',6'-dinitro-2-chloroacetanilideAKOS024330890
Database identifiers
- CAS
32494-80-7- PubChem CID
- 5014604
- DTXSID
DTXSID70407527
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 304
Physicochemical properties
- Boiling point
- 467.7 · 467.7±45.0 °C(Predicted)
- Density
- 1.647 · 1.647±0.06 g/cm3(Predicted)
- pka
- 10.32 · 10.32±0.70(Predicted)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Sigma-Aldrich Japan K.K.[email protected]
Related reactions
3 records
Compound notes
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