2-Chloro-4-fluoro-5-nitrotoluene

C₇H₅ClFNO₂CAS 112108-73-3189.57 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

112108-73-3

SMILES

CC1=CC(=C(C=C1Cl)F)[N+](=O)[O-]

InChIKey

YXVJHZWHPLOEAP-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

1-Chloro-5-fluoro-2-methyl-4-nitro-benzene

Work with 2-Chloro-4-fluoro-5-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

1,2-Dichloro-4-fluoro-5-nitrobenzene2339-78-873 % similar 1-Chloro-2,4-difluoro-5-nitrobenzene1481-68-166 % similar 5-Chloro-4-methyl-2-nitrobenzenamine7149-80-663 % similar 4-Chloro-5-methyl-2-nitrophenol7147-89-959 % similar 1,2-Difluoro-4-methyl-5-nitrobenzene127371-50-058 % similar 1,5-Difluoro-2,4-dinitrobenzene327-92-458 % similar 1,2,4-Trifluoro-5-nitrobenzene2105-61-556 % similar 1-Chloro-5-isopropoxy-2-methyl-4-nitrobenzene1032903-50-656 % similar

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

Same formula

1-Chloro-2-fluoro-4-methyl-5-nitrobenzene118664-99-6 1-Chloro-5-fluoro-4-methyl-2-nitrobenzene18349-11-6

Elsewhere

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