chempirical

N1-(4,5-Dichloro-2-nitrophenyl)acetamide

C8H6Cl2N2O3CAS 5462-30-6249.05 g/mol

Open in Covalent MOL file
OHNN+OO−ClCl
AmideAryl halideNitro

Properties

Molecular formula
C8H6Cl2N2O3
Molar mass
249.05 g/mol
Exact mass
247.9755 Da
logP
2.86Crippen estimate
Polar surface area
72.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
5462-30-6
SMILES
CC(=O)NC1=CC(=C(C=C1[N+](=O)[O-])Cl)Cl
InChIKey
ZEGRPTYRAGSSBH-UHFFFAOYSA-N
InChI
InChI=1S/C8H6Cl2N2O3/c1-4(13)11-7-2-5(9)6(10)3-8(7)12(14)15/h2-3H,1H3,(H,11,13)

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Names and synonyms

1 names
  • 4',5'-Dichloro-2'-nitroacetanilide

Work with N1-(4,5-Dichloro-2-nitrophenyl)acetamide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4'-Fluoro-2'-nitroacetanilide448-39-560 % similar 4,5-Dichloro-2-nitrotoluene7494-45-354 % similar 2,4,5-Trichloronitrobenzene89-69-051 % similar 1-(4-Chloro-3-nitrophenyl)ethanone5465-65-647 % similar 1,2-Dichloro-4-fluoro-5-nitrobenzene2339-78-846 % similar 4,5-Dichloro-2-nitrophenol39224-65-246 % similar 4,5-Dichloro-2-nitrobenzenamine6641-64-146 % similar 4-Nitro-3-trifluoromethylacetanilide393-12-446 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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