1-Chloro-2-fluoro-4-methyl-5-nitrobenzene

C₇H₅ClFNO₂CAS 118664-99-6189.57 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₇H₅ClFNO₂
Molar mass: 189.57 g/mol
Exact mass: 188.9993 Da
logP: 2.70Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

118664-99-6

SMILES

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

InChIKey

WZEMBGOGKOKTDW-UHFFFAOYSA-N

InChI

InChI=1S/C7H5ClFNO2/c1-4-2-6(9)5(8)3-7(4)10(11)12/h2-3H,1H3

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Names and synonyms

1 names

Benzene, 1-chloro-2-fluoro-4-methyl-5-nitro-

Work with 1-Chloro-2-fluoro-4-methyl-5-nitrobenzene

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-nitrobenzene127371-50-073 % similar 1-Chloro-2,4-difluoro-5-nitrobenzene1481-68-171 % similar 1,2-Dichloro-4-fluoro-5-nitrobenzene2339-78-863 % similar 5-Chloro-4-fluoro-2-nitrobenzenamine104222-34-659 % similar 4-Fluoro-1-methyl-2-nitrobenzene446-10-657 % similar 4-Chloro-1-methyl-2-nitrobenzene89-59-855 % similar 4-Chloro-5-methyl-2-nitrophenol7147-89-955 % similar 2,4,5-Trichloronitrobenzene89-69-051 % similar

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

Same formula

2-Chloro-4-fluoro-5-nitrotoluene112108-73-3 1-Chloro-5-fluoro-4-methyl-2-nitrobenzene18349-11-6

Elsewhere

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