2,4-Dichloro-1-methyl-3-nitro-5-(trifluoromethyl)benzene

C₈H₄Cl₂F₃NO₂CAS 115571-69-2274.02 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Nitro

Properties

Molecular formula: C₈H₄Cl₂F₃NO₂
Molar mass: 274.02 g/mol
Exact mass: 272.9571 Da
logP: 4.23Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

115571-69-2

SMILES

Cc1cc(C(F)(F)F)c(Cl)c([N+](=O)[O-])c1Cl

InChIKey

BAKKEOPYMZSUQG-UHFFFAOYSA-N

InChI

InChI=1S/C8H4Cl2F3NO2/c1-3-2-4(8(11,12)13)6(10)7(5(3)9)14(15)16/h2H,1H3

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

Names and synonyms

2 names

Benzene, 2,4-dichloro-1-methyl-3-nitro-5-(trifluoromethyl)-
2,4-Dichloro-5-trifluoromethyl-3-nitrotoluene

Work with 2,4-Dichloro-1-methyl-3-nitro-5-(trifluoromethyl)benzene

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

2,4-Dichloro-3,5-dinitrobenzotrifluoride29091-09-669 % similar 2-Chloro-3,5-dinitrobenzotrifluoride392-95-053 % similar 2-Chloro-1-nitro-3-(trifluoromethyl)benzene39974-35-149 % similar 5-Chloro-2-nitrobenzotrifluoride118-83-248 % similar 4-Chloro-3,5-dinitrobenzotrifluoride393-75-948 % similar 1,2,4,5-Tetrachloro-3-nitrobenzene117-18-046 % similar 2,4-Dichloro-5-nitrobenzotrifluoride400-70-445 % similar 4-Chloro-6-methyl-5-nitro-2-(trifluoromethyl)quinoline175203-61-945 % similar

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

Same formula

3,4-Dichloro-2-nitro-6-(trifluoromethyl)toluene115571-66-9 2,3-Dichloro-4-trifluoromethyl-6-nitrotoluene115571-67-0 2,3-Dichloro-4-methyl-1-nitro-5-(trifluoromethyl)benzene115571-68-1

Elsewhere

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