2,4-Dichloro-3,5-dinitrobenzotrifluoride

C₇HCl₂F₃N₂O₄CAS 29091-09-6304.99 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Nitro

Properties

Molecular formula: C₇HCl₂F₃N₂O₄
Molar mass: 304.99 g/mol
Exact mass: 303.9265 Da
logP: 3.83Crippen estimate
Polar surface area: 86.3 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Identifiers

CAS number

29091-09-6

SMILES

O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)c([N+](=O)[O-])c1Cl

InChIKey

DPQYRXNRGNLPFC-UHFFFAOYSA-N

InChI

InChI=1S/C7HCl2F3N2O4/c8-4-2(7(10,11)12)1-3(13(15)16)5(9)6(4)14(17)18/h1H

Weigh it out

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

Names and synonyms

4 names

Benzene, 2,4-dichloro-1,3-dinitro-5-(trifluoromethyl)-
Toluene, 2,4-dichloro-α,α,α-trifluoro-3,5-dinitro-
2,4-Dichloro-1,3-dinitro-5-(trifluoromethyl)benzene
2,4-Dichloro-1-(trifluoromethyl)-3,5-dinitrobenzene

Work with 2,4-Dichloro-3,5-dinitrobenzotrifluoride

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

2,3-Dichloro-4-methyl-1-nitro-5-(trifluoromethyl)benzene115571-68-169 % similar 2,4-Dichloro-1-methyl-3-nitro-5-(trifluoromethyl)benzene115571-69-269 % similar 2-Chloro-3,5-dinitrobenzotrifluoride392-95-068 % similar 2,3-Dichloro-4-trifluoromethyl-6-nitrotoluene115571-67-065 % similar 4-Chloro-3,5-dinitrobenzotrifluoride393-75-962 % similar 2-Chloro-1-nitro-3-(trifluoromethyl)benzene39974-35-159 % similar 2,4-Dichloro-5-nitrobenzotrifluoride400-70-459 % similar 5-Chloro-2-nitrobenzotrifluoride118-83-257 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook