5-Chloro-2-nitrobenzamide

C₇H₅ClN₂O₃CAS 40763-96-0200.58 g/mol

Open in Covalent MOL file

Amide Aryl halide Nitro

Properties

Molecular formula: C₇H₅ClN₂O₃
Molar mass: 200.58 g/mol
Exact mass: 199.9989 Da
logP: 1.35Crippen estimate
Polar surface area: 86.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation83.3% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

40763-96-0

SMILES

C1=CC(=C(C=C1Cl)C(=O)N)[N+](=O)[O-]

InChIKey

MKHXTOPPKVFSFI-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 5-Chloro-2-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

5-Chloro-2-nitrobenzoic acid2516-95-265 % similar Methyl 5-chloro-2-nitrobenzoate51282-49-660 % similar 4-Chloro-1,2-dinitrobenzene610-40-258 % similar 5-Chloro-2-nitroaniline1635-61-656 % similar 2,4-Dichloronitrobenzene611-06-355 % similar 2-Amino-3-nitrobenzamide313279-12-855 % similar 4-Chloro-2-nitrobenzoic acid6280-88-253 % similar 4-Chloro-2-methyl-1-nitrobenzene5367-28-253 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Chloro-3-nitrobenzamide16588-06-0 2-Chloro-5-nitrobenzamide16588-15-1 Aklomide3011-89-0 ((5-Chloropyridin-2-yl)amino)(oxo)acetic acid552850-73-4

Elsewhere

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