chempirical

1-(Difluoromethoxy)-4-nitrobenzene

C7H5F2NO3CAS 1544-86-1189.12 g/mol

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HalogenNitroTertiary Amine

Properties

Molecular formula
C7H5F2NO3
Molar mass
189.12 g/mol
Exact mass
189.0237 Da
Melting point
30–31 °C
logP
2.20Crippen estimate
Polar surface area
52.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Identifiers

CAS number
1544-86-1
SMILES
O=[N+]([O-])c1ccc(OC(F)F)cc1
InChIKey
SVGGBARCOQPYMV-UHFFFAOYSA-N
InChI
InChI=1S/C7H5F2NO3/c8-7(9)13-6-3-1-5(2-4-6)10(11)12/h1-4,7H

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Names and synonyms

7 names
  • Benzene, 1-(difluoromethoxy)-4-nitro-
  • Anisole, α,α-difluoro-p-nitro-
  • α,α-Difluoro-p-nitroanisole
  • p-Nitrophenyl difluoromethyl ether
  • Difluoromethyl 4-nitrophenyl ether
  • 1-Difluoromethoxy-4-nitrobenzene
  • 4-(Difluoromethoxy)nitrobenzene

Work with 1-(Difluoromethoxy)-4-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

Elsewhere

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