4-Nitro-3-trifluoromethylacetanilide

C₉H₇F₃N₂O₃CAS 393-12-4248.16 g/mol

Open in Covalent MOL file

Alkyl halide Amide Nitro

Properties

Molecular formula: C₉H₇F₃N₂O₃
Molar mass: 248.16 g/mol
Exact mass: 248.0409 Da
logP: 2.57Crippen estimate
Polar surface area: 72.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Danger

H314 Causes severe skin burns and eye damage92.9% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number

393-12-4

SMILES

CC(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F

InChIKey

MIHJCLQINRFOLX-UHFFFAOYSA-N

InChI

InChI=1S/C9H7F3N2O3/c1-5(15)13-6-2-3-8(14(16)17)7(4-6)9(10,11)12/h2-4H,1H3,(H,13,15)

Weigh it out

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

Names and synonyms

1 names

4'-Nitro-3'-(trifluoromethyl)acetanilide

Work with 4-Nitro-3-trifluoromethylacetanilide

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-Fluoro-1-nitro-2-(trifluoromethyl)benzene393-09-953 % similar 5-Chloro-2-nitrobenzotrifluoride118-83-252 % similar 5-Bromo-2-nitrobenzotrifluoride344-38-752 % similar 4-Nitro-3-(trifluoromethyl)aniline393-11-352 % similar Tfm (piscicide)88-30-252 % similar 4'-Fluoro-2'-nitroacetanilide448-39-551 % similar 2-Nitrobenzotrifluoride384-22-548 % similar Flutamide13311-84-747 % similar

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

Same formula

4'-Nitro-2'-(trifluoromethyl)acetanilide395-68-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook