1-Fluoro-5-methyl-2,4-dinitrobenzene

C₇H₅FN₂O₄CAS 349-01-9200.13 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₇H₅FN₂O₄
Molar mass: 200.13 g/mol
Exact mass: 200.0233 Da
logP: 1.95Crippen estimate
Polar surface area: 86.3 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Identifiers

CAS number

349-01-9

SMILES

CC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])F

InChIKey

CMIMRMOSIVTUAA-UHFFFAOYSA-N

InChI

InChI=1S/C7H5FN2O4/c1-4-2-5(8)7(10(13)14)3-6(4)9(11)12/h2-3H,1H3

Weigh it out

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Names and synonyms

1 names

2,4-Dinitro-5-fluorotoluene

Work with 1-Fluoro-5-methyl-2,4-dinitrobenzene

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

1,2-Difluoro-4-methyl-5-nitrobenzene127371-50-083 % similar 1,4-Difluoro-2-methyl-5-nitrobenzene141412-60-480 % similar 1,5-Difluoro-2,4-dinitrobenzene327-92-471 % similar 1-Chloro-2-fluoro-4-methyl-5-nitrobenzene118664-99-671 % similar 4-Bromo-5-fluoro-2-nitrotoluene224185-19-771 % similar 2-Chloro-4-fluoro-5-nitrotoluene112108-73-366 % similar 4-Fluoro-1-methyl-2-nitrobenzene446-10-664 % similar 1,2,4-Trifluoro-5-nitrobenzene2105-61-563 % similar

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

Elsewhere

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