chempirical

2-(Trifluoromethoxy)nitrobenzene

C7H4F3NO3CAS 1644-88-8207.11 g/mol

Open in Covalent MOL file
N+OO−OFFF
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

Identifiers

CAS number
1644-88-8
SMILES
C1=CC=C(C(=C1)[N+](=O)[O-])OC(F)(F)F
InChIKey
YTWBYJAWWKTPOV-UHFFFAOYSA-N
InChI
InChI=1S/C7H4F3NO3/c8-7(9,10)14-6-4-2-1-3-5(6)11(12)13/h1-4H

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Names and synonyms

1 names
  • 1-Nitro-2-(trifluoromethoxy)benzene

Work with 2-(Trifluoromethoxy)nitrobenzene

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-2-(1,1,2,2-tetrafluoroethoxy)benzene28202-31-568 % similar 1,1′-[1,2-Ethanediylbis(oxy)]bis[2-nitrobenzene]51661-19-957 % similar O-Nitroanisole91-23-657 % similar 1-Ethoxy-2-nitrobenzene610-67-357 % similar 2-Nitrodiphenyl ether2216-12-856 % similar 1,2-Dinitrobenzene528-29-053 % similar 2-Nitrobenzotrifluoride384-22-553 % similar 5-Chloro-2-nitro-4-(trifluoromethoxy)benzenamine914637-23-350 % similar

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

Same formula

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

Elsewhere

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