6-Bromo-3-nitro-4-quinolinol

C₉H₅BrN₂O₃CAS 853908-50-6269.05 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₉H₅BrN₂O₃
Molar mass: 269.05 g/mol
Exact mass: 267.9484 Da
logP: 2.20Crippen estimate
Polar surface area: 76.0 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

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

Aggregated from the 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

853908-50-6

SMILES

C1=CC2=C(C=C1Br)C(=O)C(=CN2)[N+](=O)[O-]

InChIKey

AMKJVYOALDEARM-UHFFFAOYSA-N

InChI

InChI=1S/C9H5BrN2O3/c10-5-1-2-7-6(3-5)9(13)8(4-11-7)12(14)15/h1-4H,(H,11,13)

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Names and synonyms

1 names

6-Bromo-3-nitroquinolin-4(1H)-one

Work with 6-Bromo-3-nitro-4-quinolinol

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

3-Nitro-4-quinolinol50332-66-663 % similar 6-Bromo-4-hydroxyquinoline-3-carboxylic acid98948-95-951 % similar 4-Bromo-1,2-dinitrobenzene610-38-850 % similar 2,5-Dibromonitrobenzene3460-18-248 % similar 2,4-Dibromonitrobenzene51686-78-348 % similar 4-Bromo-1-iodo-2-nitrobenzene112671-42-845 % similar 4-Bromo-1-chloro-2-nitrobenzene16588-24-245 % similar 5-Bromo-2-nitrophenol27684-84-045 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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