3-Bromo-4-trifluoromethylnitrobenzene

C₇H₃BrF₃NO₂CAS 875238-74-7270.01 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

875238-74-7

SMILES

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

InChIKey

WPUMBZRKLJGMIJ-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

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

Work with 3-Bromo-4-trifluoromethylnitrobenzene

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-Fluoro-4-nitrobenzotrifluoride69411-67-265 % similar 2-Chloro-4-nitrobenzotrifluoride151504-80-263 % similar 2-Methyl-4-nitrobenzotrifluoride1960-52-763 % similar 2-Amino-4-nitrobenzotrifluoride393-49-763 % similar 2-Fluoro-5-nitrobenzotrifluoride400-74-861 % similar 2-Bromo-1-fluoro-4-nitrobenzene701-45-159 % similar 4-Nitro-2-(trifluoromethyl)aniline121-01-759 % similar 2-Chloro-5-nitrobenzotrifluoride777-37-759 % similar

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

Same formula

4-Bromo-2-nitro-1-(trifluoromethyl)benzene251115-21-6 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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