N-[6-chloro-3-(2-chloroacetyl)-4-methyl-2-nitrophenyl]acetamide
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Basic information
- CAS
861231-61-0- Standard SMILES
CC(=O)Nc1c(Cl)cc(C)c(C(=O)CCl)c1[N+](=O)[O-]- InChIKey
RFZRGDZSQLFEPA-UHFFFAOYSA-N- Molecular formula
- C11H10Cl2N2O4
- Average molar mass
- 305.11 g/mol
- Monoisotopic mass
- 304.0017622
Names & identifiers
- Preferred name
- N-[6-chloro-3-(2-chloroacetyl)-4-methyl-2-nitrophenyl]acetamide
- IUPAC
- N-[6-chloro-3-(2-chloroacetyl)-4-methyl-2-nitrophenyl]acetamide
- English name
- p-Acetotoluide, 2-chloro-5-(chloroacetyl)-6-nitro- (1CI)
- Molecular formula
- C11H10Cl2N2O4
- Molecular weight
- 305.11
Names & synonyms
p-Acetotoluide, 2-chloro-5-(chloroacetyl)-6-nitro- (1CI)Acetamide, N-[6-chloro-3-(2-chloroacetyl)-4-methyl-2-nitrophenyl]-
Database identifiers
- CAS
861231-61-0- PubChem CID
- 131861925
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 92 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 385
Physicochemical properties
- Boiling point
- 517.8 · 517.8±50.0 °C(Predicted)
- Density
- 1.484 · 1.484±0.06 g/cm3(Predicted)
- pka
- 12.41 · 12.41±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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