Basic information
- CAS
17641-03-1- Standard SMILES
O=C(CI)Nc1cccc(Cl)c1- InChIKey
YMTHBCHAFDYSDS-UHFFFAOYSA-N- Molecular formula
- C8H7ClINO
- Average molar mass
- 295.5 g/mol
- Monoisotopic mass
- 294.92609
Names & identifiers
- Preferred name
- Acetanilide, 3'-chloro-2-iodo-
- IUPAC
- N-(3-chlorophenyl)-2-iodoacetamide
- English name
- N-(3-Chlorophenyl)-2-iodoacetamide
- Molecular formula
- C8H7ClINO
- Molecular weight
- 295.5
Names & synonyms
17641-03-1ACETANILIDE, 3'-CHLORO-2-IODO-3'-Chloro-2-iodoacetanilideBRN 2831842DTXSID50170126RefChem:315777DTXCID0092617N-(3-chlorophenyl)-2-iodoacetamideAKOS003107425n-(3-chloro-phenyl)-2-iodo-acetamideAcetamide, N-(3-chlorophenyl)-2-iodo-
Database identifiers
- CAS
17641-03-1- PubChem CID
- 28664
- DTXSID
DTXSID50170126- Nikkaji
- J54.149D
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Boiling point
- 398.9 · 398.9±27.0 °C(Predicted)
- Density
- 1.927 · 1.927±0.06 g/cm3(Predicted)
- pka
- 12.23 · 12.23±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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