4,5-Dichloro-2-nitrobenzotrifluoride

C₇H₂Cl₂F₃NO₂CAS 50594-31-5259.99 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Nitro

Properties

Molecular formula: C₇H₂Cl₂F₃NO₂
Molar mass: 259.99 g/mol
Exact mass: 258.9415 Da
logP: 3.92Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

50594-31-5

SMILES

C1=C(C(=CC(=C1Cl)Cl)[N+](=O)[O-])C(F)(F)F

InChIKey

MMUARSWOJRDXBV-UHFFFAOYSA-N

InChI

InChI=1S/C7H2Cl2F3NO2/c8-4-1-3(7(10,11)12)6(13(14)15)2-5(4)9/h1-2H

Weigh it out

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

Names and synonyms

1 names

3,4-Dichloro-6-nitrobenzotrifluoride

Work with 4,5-Dichloro-2-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

5-Chloro-2-nitrobenzotrifluoride118-83-262 % similar 5-Chloro-2-nitro-4-(trifluoromethyl)aniline35375-74-762 % similar 2,4,5-Trichloronitrobenzene89-69-059 % similar 1-Chloro-2-nitro-4-(trifluoromethyl)benzene121-17-558 % similar 2-Chloro-4-nitrobenzotrifluoride151504-80-258 % similar 3-Chloro-4-nitrobenzotrifluoride402-11-958 % similar 2-Chloro-5-nitrobenzotrifluoride777-37-758 % similar 1,2-Dichloro-4-fluoro-5-nitrobenzene2339-78-857 % similar

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

Same formula

2,4-Dichloro-5-nitrobenzotrifluoride400-70-4

Elsewhere

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