chempirical

2-Chloro-5-nitrobenzamide

C7H5ClN2O3CAS 16588-15-1200.58 g/mol

Open in Covalent MOL file
N+OO−ONH2Cl
AmideAryl halideNitro

Properties

Molecular formula
C7H5ClN2O3
Molar mass
200.58 g/mol
Exact mass
199.9989 Da
logP
1.35Crippen estimate
Polar surface area
86.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
16588-15-1
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])C(=O)N)Cl
InChIKey
SDHXWAPVLOGAJR-UHFFFAOYSA-N
InChI
InChI=1S/C7H5ClN2O3/c8-6-2-1-4(10(12)13)3-5(6)7(9)11/h1-3H,(H2,9,11)

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 2-Chloro-5-nitrobenzamide

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

2-Chloro-5-nitrobenzoyl chloride25784-91-267 % similar 2′-Chloro-5′-nitroacetophenone23082-50-065 % similar 2-Chloro-5-nitrobenzoic acid2516-96-365 % similar 2-Chloro-5-nitrobenzophenone34052-37-460 % similar Methyl 2-chloro-5-nitrobenzoate6307-82-060 % similar 4-Nitrobenzamide619-80-757 % similar Ethyl 2-chloro-5-nitrobenzoate16588-17-357 % similar 2-Amino-5-nitro-2′-chlorobenzophenone2011-66-757 % similar

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

Same formula

4-Chloro-3-nitrobenzamide16588-06-0 Aklomide3011-89-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook