chempirical

2,3-Dichloro-4-trifluoromethyl-6-nitrotoluene

C8H4Cl2F3NO2CAS 115571-67-0274.02 g/mol

Open in Covalent MOL file
ClClFFFN+OO−
Alkyl halideAryl halideNitro

Properties

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

Identifiers

CAS number
115571-67-0
SMILES
CC1=C(C=C(C(=C1Cl)Cl)C(F)(F)F)[N+](=O)[O-]
InChIKey
KKTAAKBKRGSPOV-UHFFFAOYSA-N
InChI
InChI=1S/C8H4Cl2F3NO2/c1-3-5(14(15)16)2-4(8(11,12)13)7(10)6(3)9/h2H,1H3

Weigh it out

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

Work with 2,3-Dichloro-4-trifluoromethyl-6-nitrotoluene

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-dinitrobenzotrifluoride29091-09-665 % similar 2-Chloro-3,5-dinitrobenzotrifluoride392-95-061 % similar 2-Methyl-1-nitro-3-(trifluoromethyl)benzene6656-49-159 % similar 2-Chloro-1-nitro-3-(trifluoromethyl)benzene39974-35-156 % similar 2,4-Dichloro-5-nitrobenzotrifluoride400-70-456 % similar 4-Chloro-3,5-dinitrobenzotrifluoride393-75-955 % similar 5-Chloro-2-nitrobenzotrifluoride118-83-251 % similar 2-Chloro-5-methyl-1,3-dinitrobenzene5264-65-348 % 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-methyl-1-nitro-5-(trifluoromethyl)benzene115571-68-1 2,4-Dichloro-1-methyl-3-nitro-5-(trifluoromethyl)benzene115571-69-2

Elsewhere

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