3-Nitro-4-(trifluoromethyl)phenol

C₇H₄F₃NO₃CAS 25889-36-5207.11 g/mol

Open in Covalent MOL file

Alkyl halide Nitro Phenol

Properties

Molecular formula: C₇H₄F₃NO₃
Molar mass: 207.11 g/mol
Exact mass: 207.0143 Da
logP: 2.32Crippen estimate
Polar surface area: 63.4 Å²
H-bond donors / acceptors: 1 / 3
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

25889-36-5

SMILES

C1=CC(=C(C=C1O)[N+](=O)[O-])C(F)(F)F

InChIKey

NIIKTULPELJXBP-UHFFFAOYSA-N

InChI

InChI=1S/C7H4F3NO3/c8-7(9,10)5-2-1-4(12)3-6(5)11(13)14/h1-3,12H

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 3-Nitro-4-(trifluoromethyl)phenol

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-Bromo-2-nitro-1-(trifluoromethyl)benzene251115-21-668 % similar 2,5-Bis(trifluoromethyl)nitrobenzene320-88-767 % similar 3-Nitro-4-(trifluoromethyl)benzoic acid116965-16-360 % similar 4-Fluoro-3-nitrophenol2105-96-659 % similar 2-Nitrobenzotrifluoride384-22-558 % similar 4-Methyl-3-nitrophenol2042-14-055 % similar 3-Fluoro-4-nitrophenol394-41-255 % similar 4-Chloro-3-nitrophenol610-78-655 % 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 1-Nitro-3-(trifluoromethoxy)benzene2995-45-1 3-(Trifluoromethyl)-5-nitrophenol349-57-5 2-Nitro-4-(trifluoromethyl)phenol400-99-7 Tfm (piscicide)88-30-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook