2-Bromophenyl 2-nitro-4-(trifluoromethyl)phenyl ether

C₁₃H₇BrF₃NO₃CAS 2069-14-9362.10 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ether Nitro

Properties

Molecular formula: C₁₃H₇BrF₃NO₃
Molar mass: 362.10 g/mol
Exact mass: 360.9561 Da
logP: 5.17Crippen estimate
Polar surface area: 52.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed97.4% of notifiers
H319 Causes serious eye irritation100% of notifiers
H400 Very toxic to aquatic life97.4% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, P391, P501

Identifiers

CAS number

2069-14-9

SMILES

C1=CC=C(C(=C1)OC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])Br

InChIKey

MEJCOJYNRIVQRG-UHFFFAOYSA-N

InChI

InChI=1S/C13H7BrF3NO3/c14-9-3-1-2-4-11(9)21-12-6-5-8(13(15,16)17)7-10(12)18(19)20/h1-7H

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Names and synonyms

1 names

2-Bromo-2'-nitro-4'-(trifluoromethyl)diphenyl ether

Work with 2-Bromophenyl 2-nitro-4-(trifluoromethyl)phenyl ether

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-3-nitrobenzotrifluoride349-03-167 % similar 2-Nitro-4-trifluoromethylanisole394-25-262 % similar 4-(4-Methoxyphenoxy)-3-nitrobenzotrifluoride1996-69-661 % similar 4-[4-(Methylthio)phenoxy]-3-nitrobenzotrifluoride56191-23-258 % similar 1-(4-Chloro-3-methylphenoxy)-2-nitro-4-(trifluoromethyl)benzene1799-97-955 % similar 2,5-Bis(trifluoromethyl)nitrobenzene320-88-755 % similar 4-Fluoro-3-nitrobenzotrifluoride367-86-253 % similar 3-Fluoro-4-nitrobenzotrifluoride402-12-053 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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