chempirical

1-Fluoro-2-methyl-3-nitrobenzene

C7H6FNO2CAS 769-10-8155.13 g/mol

Open in Covalent MOL file
FN+OO−
Aryl halideNitro

Properties

Molecular formula
C7H6FNO2
Molar mass
155.13 g/mol
Exact mass
155.0383 Da
Boiling point
91–92 °C (at 8 Torr)
logP
2.04Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
769-10-8
SMILES
Cc1c(F)cccc1[N+](=O)[O-]
InChIKey
GXPIVRKDWZKIKZ-UHFFFAOYSA-N
InChI
InChI=1S/C7H6FNO2/c1-5-6(8)3-2-4-7(5)9(10)11/h2-4H,1H3

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Names and synonyms

7 names
  • Benzene, 1-fluoro-2-methyl-3-nitro-
  • Toluene, 2-fluoro-6-nitro-
  • 6-Fluoro-2-nitrotoluene
  • 6-Nitro-2-fluorotoluene
  • 2-Fluoro-6-nitrotoluene
  • 2-Methyl-3-fluoronitrobenzene
  • NSC 10333

Work with 1-Fluoro-2-methyl-3-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

2,6-Dinitrotoluene606-20-272 % similar 1,2-Difluoro-3-nitrobenzene6921-22-866 % similar 3-Nitro-O-xylene83-41-066 % similar 1-Fluoro-2-nitrobenzene1493-27-265 % similar 2-Chloro-1-fluoro-3-nitrobenzene21397-07-962 % similar 2-Bromo-6-nitrotoluene55289-35-562 % similar 2-Methyl-3-nitroaniline603-83-862 % similar 1-Chloro-2-methyl-3-nitrobenzene83-42-162 % similar

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

Same formula

Methyl 5-fluoropyridine-2-carboxylate107504-07-4 2-Fluoro-1-methyl-4-nitrobenzene1427-07-2 3-Amino-4-fluorobenzoic acid2365-85-7 2-Amino-5-fluorobenzoic acid446-08-2 4-Fluoro-1-methyl-2-nitrobenzene446-10-6 2-Amino-4-fluorobenzoic acid446-32-2 4-Fluoro-2-methyl-1-nitrobenzene446-33-3 2-Fluoro-4-methyl-1-nitrobenzene446-34-4

Elsewhere

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