chempirical

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

C13H7BrF3NO3CAS 2069-14-9362.10 g/mol

Open in Covalent MOL file
OFFFN+OO−Br
Alkyl halideAryl halideEtherNitro

Properties

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

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-Methoxy-3-nitrobenzotrifluoride394-25-262 % similar 4-(4-Methoxyphenoxy)-3-nitrobenzotrifluoride1996-69-661 % similar 1-(4-Chloro-3-methylphenoxy)-2-nitro-4-(trifluoromethyl)benzene1799-97-955 % similar 4-Fluoro-3-nitrobenzotrifluoride367-86-253 % similar 1-Chloro-2-nitro-4-(trifluoromethyl)benzene121-17-552 % similar 2-Nitro-4-(trifluoromethyl)aniline400-98-652 % similar 2-Nitro-4-(trifluoromethyl)phenol400-99-752 % similar 2-Nitro-4-(trifluoromethyl)benzonitrile778-94-952 % similar

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

Elsewhere

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