4'-Bromo-2'-(trifluoromethoxy)acetanilide

C₉H₇BrF₃NO₂CAS 175278-18-9298.06 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ether

Properties

Molecular formula: C₉H₇BrF₃NO₂
Molar mass: 298.06 g/mol
Exact mass: 296.9612 Da
logP: 3.96Crippen estimate
Polar surface area: 41.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed16.7% of notifiers
H312 Harmful in contact with skin16.7% of notifiers
H315 Causes skin irritation83.3% of notifiers
H319 Causes serious eye irritation83.3% of notifiers
H332 Harmful if inhaled16.7% of notifiers
H335 May cause respiratory irritation83.3% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

175278-18-9

SMILES

CC(O)=Nc1ccc(Br)cc1OC(F)(F)F

InChIKey

SHHWWZMWTUTJPY-UHFFFAOYSA-N

InChI

InChI=1S/C9H7BrF3NO2/c1-5(15)14-7-3-2-6(10)4-8(7)16-9(11,12)13/h2-4H,1H3,(H,14,15)

Weigh it out

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

Names and synonyms

2 names

N-[4-Bromo-2-(trifluoromethoxy)phenyl]acetamide
Acetamide, N-[4-bromo-2-(trifluoromethoxy)phenyl]-

Work with 4'-Bromo-2'-(trifluoromethoxy)acetanilide

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

N-(4-Bromo-2-fluorophenyl)acetamide326-66-957 % similar 4-Bromo-2-(trifluoromethoxy)phenyl isothiocyanate238742-91-156 % similar N-(4-Bromo-2-methylphenyl)acetamide24106-05-655 % similar 4-Bromo-2-(trifluoromethoxy)aniline175278-09-849 % similar 4-Bromo-2-(trifluoromethoxy)iodobenzene175278-12-349 % similar 4-Bromo-2-(trifluoromethoxy)thiophenol175278-15-649 % similar 4-Bromo-2-fluoro-1-(trifluoromethoxy)benzene105529-58-648 % similar 4-Bromo-2-(trifluoromethoxy)benzaldehyde220996-80-546 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook