chempirical

3-(Difluoromethoxy)nitrobenzene

C7H5F2NO3CAS 22236-07-3189.12 g/mol

Open in Covalent MOL file
OFFN+OO−
Alkyl halideEtherNitro

Properties

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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
22236-07-3
SMILES
C1=CC(=CC(=C1)OC(F)F)[N+](=O)[O-]
InChIKey
NYVCZALWNPMMSQ-UHFFFAOYSA-N
InChI
InChI=1S/C7H5F2NO3/c8-7(9)13-6-3-1-2-5(4-6)10(11)12/h1-4,7H

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Work with 3-(Difluoromethoxy)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

3-Nitroanisole555-03-364 % similar 1-Nitro-3-(trifluoromethoxy)benzene2995-45-159 % similar 1-Fluoro-3-nitrobenzene402-67-557 % similar 1,3-Dinitrobenzene99-65-056 % similar 3-Nitrobenzaldehyde99-61-649 % similar 3-Nitrochlorobenzene121-73-349 % similar (OC-6-21)-Pentafluoro(3-nitrophenyl)sulfur2613-26-548 % similar 5-Nitrobenzotrifluoride98-46-448 % similar

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

Same formula

1-(Difluoromethoxy)-4-nitrobenzene1544-86-1 2-(Difluoromethoxy)nitrobenzene22225-77-0

Elsewhere

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