3-Nitro-4-(trifluoromethoxy)bromobenzene

C₇H₃BrF₃NO₃CAS 95668-20-5286.00 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ether Nitro

Properties

Molecular formula: C₇H₃BrF₃NO₃
Molar mass: 286.00 g/mol
Exact mass: 284.9248 Da
logP: 3.26Crippen estimate
Polar surface area: 52.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

95668-20-5

SMILES

C1=CC(=C(C=C1Br)[N+](=O)[O-])OC(F)(F)F

InChIKey

OIGUXYDXDJIDCY-UHFFFAOYSA-N

InChI

InChI=1S/C7H3BrF3NO3/c8-4-1-2-6(15-7(9,10)11)5(3-4)12(13)14/h1-3H

Weigh it out

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

Work with 3-Nitro-4-(trifluoromethoxy)bromobenzene

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

2,4-Dinitro(trifluoromethoxy)benzene655-07-269 % similar 3-Nitro-4-(trifluoromethoxy)aniline2822-50-666 % similar 4-Bromo-1-methoxy-2-nitrobenzene33696-00-363 % similar 2-(Trifluoromethoxy)nitrobenzene1644-88-862 % similar 4-Bromo-2-nitro-1-(trifluoromethyl)benzene251115-21-659 % similar 4-Bromo-1,2-dinitrobenzene610-38-857 % similar 4-Bromo-1-fluoro-2-nitrobenzene364-73-855 % similar 5-Bromo-2-nitrobenzotrifluoride344-38-755 % similar

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

Same formula

2-Bromo-4-nitro(trifluoromethoxy)benzene200958-40-3

Elsewhere

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