3-Bromo-5-nitrobenzotrifluoride

C₇H₃BrF₃NO₂CAS 630125-49-4270.01 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

630125-49-4

SMILES

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

InChIKey

YHTVYRKVFAFVLP-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

1-Bromo-3-nitro-5-(trifluoromethyl)benzene

Work with 3-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

1-Nitro-3,5-bis(trifluoromethyl)benzene328-75-674 % similar 3,5-Dinitrobenzotrifluoride401-99-074 % similar 1-Bromo-3,5-dinitrobenzene18242-39-265 % similar 3,5-Dibromonitro benzene6311-60-065 % similar 3-(Trifluoromethyl)-5-nitrophenol349-57-562 % similar 3-Chloro-5-nitrobenzotrifluoride401-93-462 % similar 3-Nitro-5-(trifluoromethyl)benzenamine401-94-562 % similar 1-Bromo-3-fluoro-5-nitrobenzene7087-65-260 % 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-4-trifluoromethylnitrobenzene875238-74-7

Elsewhere

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