3-Chloro-4-fluoro-5-nitrobenzotrifluoride

C₇H₂ClF₄NO₂CAS 101646-02-0243.54 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Nitro

Properties

Molecular formula: C₇H₂ClF₄NO₂
Molar mass: 243.54 g/mol
Exact mass: 242.9710 Da
logP: 3.41Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

101646-02-0

SMILES

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

InChIKey

JVOKKJHIEVEFEB-UHFFFAOYSA-N

InChI

InChI=1S/C7H2ClF4NO2/c8-4-1-3(7(10,11)12)2-5(6(4)9)13(14)15/h1-2H

Weigh it out

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Work with 3-Chloro-4-fluoro-5-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-Chloro-3,5-dinitrobenzotrifluoride393-75-967 % similar 1-Chloro-2-nitro-4-(trifluoromethyl)benzene121-17-566 % similar 3-Chloro-4-nitrobenzotrifluoride402-11-966 % similar 3,5-Dichloro-4-fluorobenzotrifluoride77227-81-761 % similar 2,6-Dinitro-4-(trifluoromethyl)phenol393-77-158 % similar 1-Chloro-2-fluoro-3-nitrobenzene2106-49-257 % similar 4-Fluoro-3-nitrobenzotrifluoride367-86-255 % similar 2,4-Dichloro-5-nitrobenzotrifluoride400-70-455 % similar

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

Elsewhere

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