5-Bromo-2-nitrobenzotrifluoride

C7H3BrF3NO2CAS 344-38-7270.01 g/mol

Open in Covalent MOL file
BrFFFN+OO−
Alkyl halideAryl halideNitro

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P501

Identifiers

CAS number
344-38-7
SMILES
C1=CC(=C(C=C1Br)C(F)(F)F)[N+](=O)[O-]
InChIKey
ZHLYHEDQTJZYFI-UHFFFAOYSA-N
InChI
InChI=1S/C7H3BrF3NO2/c8-4-1-2-6(12(13)14)5(3-4)7(9,10)11/h1-3H

Weigh it out

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Work with 5-Bromo-2-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

4-Fluoro-1-nitro-2-(trifluoromethyl)benzene393-09-969 % similar Tfm (piscicide)88-30-268 % similar 5-Chloro-2-nitrobenzotrifluoride118-83-263 % similar 4-Nitro-3-(trifluoromethyl)aniline393-11-363 % similar 4-Bromo-2-nitro-6-(trifluoromethyl)aniline157026-18-163 % similar 4-Bromo-1,2-dinitrobenzene610-38-862 % similar 5-Bromo-2-nitrophenol27684-84-059 % similar 4-Bromo-2-fluoro-1-nitrobenzene321-23-359 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromo-2-nitro-1-(trifluoromethyl)benzene251115-21-6 4-Bromo-3-nitrobenzotrifluoride349-03-1 2-Bromo-5-nitrobenzotrifluoride367-67-9 3-Bromo-5-nitrobenzotrifluoride630125-49-4 3-Bromo-4-trifluoromethylnitrobenzene875238-74-7

Elsewhere

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