chempirical

1-Nitro-3-(trifluoromethoxy)benzene

C7H4F3NO3CAS 2995-45-1207.11 g/mol

Open in Covalent MOL file
OFFFN+OO−
Alkyl halideEtherNitro

Properties

Molecular formula
C7H4F3NO3
Molar mass
207.11 g/mol
Exact mass
207.0143 Da
logP
2.49Crippen estimate
Polar surface area
52.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

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
2995-45-1
SMILES
C1=CC(=CC(=C1)OC(F)(F)F)[N+](=O)[O-]
InChIKey
QBWJNDOQIAARBT-UHFFFAOYSA-N
InChI
InChI=1S/C7H4F3NO3/c8-7(9,10)14-6-3-1-2-5(4-6)11(12)13/h1-4H

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Names and synonyms

1 names
  • 3-(Trifluoromethoxy)nitrobenzene

Work with 1-Nitro-3-(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

3-Nitroanisole555-03-359 % similar 3-(Difluoromethoxy)nitrobenzene22236-07-359 % similar 1,3-Dinitrobenzene99-65-056 % similar 5-Nitrobenzotrifluoride98-46-455 % similar 2-Bromo-4-nitro(trifluoromethoxy)benzene200958-40-355 % similar 2-Nitro-4-(trifluoromethoxy)aniline2267-23-455 % similar 1-Fluoro-3-nitrobenzene402-67-553 % similar 3-(Trifluoromethoxy)fluorobenzene1077-01-650 % similar

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

Same formula

2-(Trifluoromethoxy)nitrobenzene1644-88-8 2-Hydroxy-6-(trifluoromethyl)nicotinicacid191595-63-8 3-Nitro-4-(trifluoromethyl)phenol25889-36-5 3-(Trifluoromethyl)-5-nitrophenol349-57-5 2-Nitro-4-(trifluoromethyl)phenol400-99-7 Tfm (piscicide)88-30-2

Elsewhere

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