chempirical

1-Fluoro-3-nitrobenzene

C6H4FNO2CAS 402-67-5141.10 g/mol

Open in Covalent MOL file
ON+O−F
Aryl halideNitro

Properties

Molecular formula
C6H4FNO2
Molar mass
141.10 g/mol
Exact mass
141.0226 Da
Density
1.3272 g/mL (at 17.2 °C)
Melting point
41 °C
Boiling point
199 °C
logP
1.73Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
402-67-5
SMILES
O=[N+]([O-])c1cccc(F)c1
InChIKey
WMASLRCNNKMRFP-UHFFFAOYSA-N
InChI
InChI=1S/C6H4FNO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H

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Names and synonyms

9 names
  • Benzene, 1-fluoro-3-nitro-
  • m-Fluoronitrobenzene
  • 3-Fluoronitrobenzene
  • m-Nitrofluorobenzene
  • 3-Nitrofluorobenzene
  • 3-Fluoro-1-nitrobenzene
  • m-Nitrobenzofluoride
  • NSC 60651
  • 1-Nitro-3-fluorobenzene

Work with 1-Fluoro-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,3-Dinitrobenzene99-65-072 % similar 1,3-Difluoro-5-nitrobenzene2265-94-367 % similar 1-Bromo-3-nitrobenzene585-79-563 % similar 3-Nitrochlorobenzene121-73-360 % similar 3-Nitrobiphenyl2113-58-858 % similar Bis(3-nitrophenyl) disulfide537-91-758 % similar 3-Nitrophenol554-84-758 % similar 1-Iodo-3-nitrobenzene645-00-158 % similar

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

Same formula

5-Fluoropyridine-2-carboxylic acid107504-08-5 3-Fluoro-5-hydroxy-2-pyridinecarboxaldehyde1227515-00-5 1-Fluoro-2-nitrobenzene1493-27-2 4-Fluoronitrobenzene350-46-9 2-Fluoronicotinic acid393-55-5 2-Fluoroisonicotinic acid402-65-3 5-Fluoronicotinic acid402-66-4 4-Fluoro-2-pyridinecarboxylic acid886371-78-4

Elsewhere

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