chempirical

Aklomide

C7H5ClN2O3CAS 3011-89-0200.58 g/mol

Open in Covalent MOL file
H2NON+OO−Cl
Aryl halideNitro

Properties

Molecular formula
C7H5ClN2O3
Molar mass
200.58 g/mol
Exact mass
199.9989 Da
Melting point
172 °C
logP
2.13Crippen estimate
Polar surface area
87.2 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Identifiers

CAS number
3011-89-0
SMILES
N=C(O)c1ccc([N+](=O)[O-])cc1Cl
InChIKey
GFGSZUNNBQXGMK-UHFFFAOYSA-N
InChI
InChI=1S/C7H5ClN2O3/c8-6-3-4(10(12)13)1-2-5(6)7(9)11/h1-3H,(H2,9,11)

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Names and synonyms

5 names
  • Benzamide, 2-chloro-4-nitro-
  • 2-Chloro-4-nitrobenzamide
  • Aklomix
  • 4-Nitro-2-chlorobenzamide
  • NSC 191832

Work with Aklomide

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-Nitro-1,2-benzenedicarboxamide13138-53-973 % similar 2-Chloro-4-nitrobenzoyl chloride7073-36-161 % similar 2-Chloro-5-nitrobenzoic acid2516-96-360 % similar 3-Nitrobenzamide645-09-059 % similar 1,2-Dichloro-4-nitrobenzene99-54-757 % similar Methyl 2-chloro-4-nitrobenzoate13324-11-356 % similar Nitrofungin619-08-955 % similar 3,5-Dinitrobenzamide121-81-354 % similar

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

Same formula

4-Chloro-3-nitrobenzamide16588-06-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook