4-Bromo-2-nitro-1-(trifluoromethyl)benzene

C₇H₃BrF₃NO₂CAS 251115-21-6270.01 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Nitro

Properties

Molecular formula: C₇H₃BrF₃NO₂
Molar mass: 270.01 g/mol
Exact mass: 268.9299 Da
logP: 3.38Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

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

251115-21-6

SMILES

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

InChIKey

WPDWGHAFCXNYDI-UHFFFAOYSA-N

InChI

InChI=1S/C7H3BrF3NO2/c8-4-1-2-5(7(9,10)11)6(3-4)12(13)14/h1-3H

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Work with 4-Bromo-2-nitro-1-(trifluoromethyl)benzene

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-(trifluoromethyl)phenol25889-36-568 % similar 2,5-Bis(trifluoromethyl)nitrobenzene320-88-767 % similar 4-Bromo-2-nitro-6-(trifluoromethyl)aniline157026-18-163 % similar 4-Bromo-1,2-dinitrobenzene610-38-862 % similar 3-Nitro-4-(trifluoromethyl)benzoic acid116965-16-360 % similar 4-Bromo-1-fluoro-2-nitrobenzene364-73-859 % similar 2,5-Dibromonitrobenzene3460-18-258 % similar 2-Nitrobenzotrifluoride384-22-558 % similar

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

Same formula

5-Bromo-2-nitrobenzotrifluoride344-38-7 4-Bromo-3-nitrobenzotrifluoride349-03-1 2-Bromo-5-nitrobenzotrifluoride367-67-9 3-Bromo-5-nitrobenzotrifluoride630125-49-4

Elsewhere

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