2,3-Dimethyl-4-fluoronitrobenzene

C₈H₈FNO₂CAS 1736-87-4169.16 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₈H₈FNO₂
Molar mass: 169.16 g/mol
Exact mass: 169.0539 Da
logP: 2.35Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

1736-87-4

SMILES

CC1=C(C=CC(=C1C)F)[N+](=O)[O-]

InChIKey

GLDMIZKOJPVEIV-UHFFFAOYSA-N

InChI

InChI=1S/C8H8FNO2/c1-5-6(2)8(10(11)12)4-3-7(5)9/h3-4H,1-2H3

Weigh it out

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

Names and synonyms

1 names

3-Fluoro-6-nitro-O-xylene

Work with 2,3-Dimethyl-4-fluoronitrobenzene

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-Fluoro-2-methyl-3-nitrobenzene769-10-872 % similar 2,6-Dinitrotoluene606-20-258 % similar 1,2,3-Trifluoro-4-nitrobenzene771-69-758 % similar 2-Fluoro-4-methyl-1-nitrobenzene446-34-457 % similar 1-Methoxy-2,3-dimethyl-4-nitrobenzene81029-03-056 % similar 2,5-Difluoronitrobenzene364-74-953 % similar 3-Nitro-O-xylene83-41-053 % similar 4-Fluoro-2-methyl-1-nitrobenzene446-33-353 % similar

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

Same formula

Methyl 3-amino-2-fluorobenzoate1195768-18-3 Methyl5-fluoro-6-methylpicolinate1245647-61-3 Methyl-4-amino-3-fluorobenzoate185629-32-7 (S)-4-Fluorophenylglycine19883-57-9 (2-Fluorophenyl)glycine2343-27-3 Methyl 2-amino-5-fluorobenzoate319-24-4 3-Amino-4-fluorobenzoic acid methyl ester369-26-6 4-Fluorophenylglycine7292-73-1

Elsewhere

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