chempirical

3-Fluoro-O-xylene

C8H9FCAS 443-82-3124.16 g/mol

Open in Covalent MOL file
F
Aryl halide

Properties

Molecular formula
C8H9F
Molar mass
124.16 g/mol
Exact mass
124.0688 Da
Boiling point
148–152 °C
logP
2.44Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
443-82-3
SMILES
Cc1cccc(F)c1C
InChIKey
AWLDSXJCQWTJPC-UHFFFAOYSA-N
InChI
InChI=1S/C8H9F/c1-6-4-3-5-8(9)7(6)2/h3-5H,1-2H3

Weigh it out

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

Names and synonyms

8 names
  • Benzene, 1-fluoro-2,3-dimethyl-
  • o-Xylene, 3-fluoro-
  • 1-Fluoro-2,3-dimethylbenzene
  • 3-Fluoro-1,2-xylene
  • 6-Methyl-2-fluorotoluene
  • 3-Fluoro-1,2-dimethylbenzene
  • 2,3-Dimethylfluorobenzene
  • NSC 76081

Work with 3-Fluoro-O-xylene

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,3-Difluoro-2-methylbenzene443-84-571 % similar 1-Fluoro-3-iodo-2-methylbenzene443-85-662 % similar 2-Fluorotoluene95-52-361 % similar 1,2-Difluoro-3-methylbenzene3828-49-760 % similar 1-Bromo-3-fluoro-2-methylbenzene1422-54-458 % similar 2-Chloro-6-fluorotoluene443-83-458 % similar 3-Fluoro-2-methylaniline443-86-758 % similar 3-Fluoro-2-methylphenol443-87-856 % similar

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

Same formula

2-Fluoro-1,3-dimethylbenzene443-88-9 4-Fluoro-1,2-dimethylbenzene452-64-2 1-Ethyl-4-fluorobenzene459-47-2

Elsewhere

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