3-(Trifluoromethyl)-5-nitrophenol

C₇H₄F₃NO₃CAS 349-57-5207.11 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
Melting point: 92 °C
logP: 2.32Crippen estimate
Polar surface area: 63.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Identifiers

CAS number

349-57-5

SMILES

O=[N+]([O-])c1cc(O)cc(C(F)(F)F)c1

InChIKey

JDIAMHNYAPDMRB-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

4 names

Phenol, 3-nitro-5-(trifluoromethyl)-
m-Cresol, α,α,α-trifluoro-5-nitro-
3-Nitro-5-(trifluoromethyl)phenol
3-Nitro-5-trifluoromethylphenol

Work with 3-(Trifluoromethyl)-5-nitrophenol

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-3,5-bis(trifluoromethyl)benzene328-75-674 % similar 3,5-Dinitrobenzotrifluoride401-99-074 % similar 3-Nitro-5-(trifluoromethyl)benzenamine401-94-562 % similar 3-Nitro-5-(trifluoromethyl)benzoic acid328-80-360 % similar 2,6-Dinitro-4-(trifluoromethyl)phenol393-77-157 % similar 5-Nitrobenzotrifluoride98-46-457 % similar 3,5-Bis(trifluoromethyl)phenol349-58-655 % similar 4-Nitrobenzotrifluoride402-54-054 % similar

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

Same formula

2-Nitro-4-(trifluoromethyl)phenol400-99-7 Tfm (piscicide)88-30-2

Elsewhere

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