4-Chloro-3-nitrobenzamide

C₇H₅ClN₂O₃CAS 16588-06-0200.58 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₇H₅ClN₂O₃
Molar mass: 200.58 g/mol
Exact mass: 199.9989 Da
Melting point: 156 °C
logP: 2.13Crippen estimate
Polar surface area: 87.2 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Identifiers

CAS number

16588-06-0

SMILES

N=C(O)c1ccc(Cl)c([N+](=O)[O-])c1

InChIKey

CGXRJCDXGJRBHV-UHFFFAOYSA-N

InChI

InChI=1S/C7H5ClN2O3/c8-5-2-1-4(7(9)11)3-6(5)10(12)13/h1-3H,(H2,9,11)

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

Names and synonyms

3 names

Benzamide, 4-chloro-3-nitro-
3-Nitro-4-chlorobenzamide
NSC 127825

Work with 4-Chloro-3-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

Iniparib160003-66-768 % similar 4-Methyl-3-nitrobenzamide19013-11-768 % similar 4-Chloro-3-nitrobenzoic acid96-99-167 % similar 4-Methoxy-3-nitrobenzamide10397-58-763 % similar 4-Chloro-3-nitrobenzoyl chloride38818-50-760 % similar 3-Nitrobenzamide645-09-060 % similar 1-(4-Chloro-3-nitrophenyl)ethanone5465-65-659 % similar 4-Bromo-1-chloro-2-nitrobenzene16588-24-256 % similar

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

Same formula

Aklomide3011-89-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook