chempirical

2-Bromo-5-nitrobenzotrifluoride

C7H3BrF3NO2CAS 367-67-9270.01 g/mol

Open in Covalent MOL file
ON+O−BrFFF
Alkyl halideAryl halideNitro

Properties

Molecular formula
C7H3BrF3NO2
Molar mass
270.01 g/mol
Exact mass
268.9299 Da
Melting point
46–48 °C
Boiling point
87–88 °C (at NaN Torr)
logP
3.38Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
367-67-9
SMILES
O=[N+]([O-])c1ccc(Br)c(C(F)(F)F)c1
InChIKey
SXEQQBBOAMHOID-UHFFFAOYSA-N
InChI
InChI=1S/C7H3BrF3NO2/c8-6-2-1-4(12(13)14)3-5(6)7(9,10)11/h1-3H

Weigh it out

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

Names and synonyms

5 names
  • Benzene, 1-bromo-4-nitro-2-(trifluoromethyl)-
  • Toluene, 2-bromo-α,α,α-trifluoro-5-nitro-
  • 1-Bromo-4-nitro-2-(trifluoromethyl)benzene
  • 4-Bromo-3-trifluoromethylnitrobenzene
  • 2-Trifluoromethyl-4-nitrobromobenzene

Work with 2-Bromo-5-nitrobenzotrifluoride

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-5-nitrobenzotrifluoride400-74-865 % similar 4-Nitro-2-(trifluoromethyl)aniline121-01-763 % similar 2-Chloro-5-nitrobenzotrifluoride777-37-763 % similar 1-Methoxy-4-nitro-2-(trifluoromethyl)benzene654-76-259 % similar 1-Bromo-2,4-dinitrobenzene584-48-558 % similar 2-Bromo-5-nitro-3-(trifluoromethyl)pyridine956104-42-056 % similar 4-Nitro-2-(trifluoromethyl)benzoic acid320-37-656 % similar 2-Bromo-5-nitroaniline10403-47-155 % similar

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

Elsewhere

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