4-Chloro-3-nitroquinoline

C₉H₅ClN₂O₂CAS 39061-97-7208.60 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₉H₅ClN₂O₂
Molar mass: 208.60 g/mol
Exact mass: 208.0040 Da
logP: 2.80Crippen estimate
Polar surface area: 56.0 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed66.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

39061-97-7

SMILES

C1=CC=C2C(=C1)C(=C(C=N2)[N+](=O)[O-])Cl

InChIKey

ZRFUZDDJSQVQBY-UHFFFAOYSA-N

InChI

InChI=1S/C9H5ClN2O2/c10-9-6-3-1-2-4-7(6)11-5-8(9)12(13)14/h1-5H

Weigh it out

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

Work with 4-Chloro-3-nitroquinoline

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

7-Bromo-4-chloro-3-nitroquinoline723280-98-664 % similar 6-Bromo-4-chloro-3-nitroquinoline723281-72-964 % similar 5-Nitroquinoline607-34-156 % similar 2-Chloro-1,3-dinitrobenzene606-21-351 % similar 1,5-Dinitronaphthalene605-71-049 % similar 1,4-Dinitronaphthalene6921-26-249 % similar 1-Nitronaphthalene86-57-747 % similar 4-Nitroisoquinoline36073-93-546 % similar

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

Elsewhere

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