chempirical

2-Bromo-4-nitro(trifluoromethoxy)benzene

C7H3BrF3NO3CAS 200958-40-3286.00 g/mol

Open in Covalent MOL file
N+OO−BrOFFF
Alkyl halideAryl halideEtherNitro

Properties

Molecular formula
C7H3BrF3NO3
Molar mass
286.00 g/mol
Exact mass
284.9248 Da
logP
3.26Crippen estimate
Polar surface area
52.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
200958-40-3
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])Br)OC(F)(F)F
InChIKey
LVTAFGFYMLODQP-UHFFFAOYSA-N
InChI
InChI=1S/C7H3BrF3NO3/c8-5-3-4(12(13)14)1-2-6(5)15-7(9,10)11/h1-3H

Weigh it out

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Work with 2-Bromo-4-nitro(trifluoromethoxy)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

2-Bromo-1-methoxy-4-nitrobenzene5197-28-463 % similar 2-Bromo-1-fluoro-4-nitrobenzene701-45-155 % similar 1-Nitro-3-(trifluoromethoxy)benzene2995-45-155 % similar 2-Bromo-5-nitrobenzotrifluoride367-67-955 % similar 2-Bromo-4-nitrobenzenamine13296-94-151 % similar 2-Bromo-1-chloro-4-nitrobenzene16588-26-451 % similar 1-Bromo-2-fluoro-4-nitrobenzene185331-69-551 % similar 3-Bromo-4-(trifluoromethoxy)aniline191602-54-751 % similar

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

Elsewhere

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