chempirical

4-(4-Methoxyphenoxy)-3-nitrobenzotrifluoride

C14H10F3NO4CAS 1996-69-6313.23 g/mol

Open in Covalent MOL file
OOFFFN+OO−
Alkyl halideEtherNitro

Properties

Molecular formula
C14H10F3NO4
Molar mass
313.23 g/mol
Exact mass
313.0562 Da
logP
4.41Crippen estimate
Polar surface area
61.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
4

Identifiers

CAS number
1996-69-6
SMILES
COC1=CC=C(C=C1)OC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]
InChIKey
WJNPONNEXMSLPF-UHFFFAOYSA-N
InChI
InChI=1S/C14H10F3NO4/c1-21-10-3-5-11(6-4-10)22-13-7-2-9(14(15,16)17)8-12(13)18(19)20/h2-8H,1H3

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Names and synonyms

1 names
  • 1-(4-Methoxyphenoxy)-2-nitro-4-(trifluoromethyl)benzene

Work with 4-(4-Methoxyphenoxy)-3-nitrobenzotrifluoride

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-nitrobenzotrifluoride394-25-276 % similar 1-(4-Chloro-3-methylphenoxy)-2-nitro-4-(trifluoromethyl)benzene1799-97-969 % similar 2-Bromophenyl 2-nitro-4-(trifluoromethyl)phenyl ether2069-14-961 % similar 1,4-Dimethoxy-2-nitrobenzene89-39-457 % similar 2-Nitro-4-(trifluoromethyl)aniline400-98-654 % similar Oxyfluorfen42874-03-353 % similar 4-Fluoro-3-nitrobenzotrifluoride367-86-252 % similar 1-Chloro-2-nitro-4-(trifluoromethyl)benzene121-17-551 % similar

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

Elsewhere

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