chempirical

1,4-Difluoro-2-methyl-5-nitrobenzene

C7H5F2NO2CAS 141412-60-4173.12 g/mol

Open in Covalent MOL file
FN+OO−F
Aryl halideNitro

Properties

Molecular formula
C7H5F2NO2
Molar mass
173.12 g/mol
Exact mass
173.0288 Da
logP
2.18Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
141412-60-4
SMILES
CC1=CC(=C(C=C1F)[N+](=O)[O-])F
InChIKey
ABWWQMGGJXKGBL-UHFFFAOYSA-N
InChI
InChI=1S/C7H5F2NO2/c1-4-2-6(9)7(10(11)12)3-5(4)8/h2-3H,1H3

Weigh it out

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

Work with 1,4-Difluoro-2-methyl-5-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

1,2,4-Trifluoro-5-nitrobenzene2105-61-569 % similar 2-Chloro-4-fluoro-5-nitrotoluene112108-73-366 % similar 1-Chloro-5-fluoro-4-methyl-2-nitrobenzene18349-11-666 % similar 1,5-Difluoro-2,4-dinitrobenzene327-92-466 % similar 1-Chloro-2-fluoro-4-methyl-5-nitrobenzene118664-99-661 % similar 1,2,3,4-Tetrafluoro-5-nitrobenzene5580-79-058 % similar 2-Fluoro-1-methyl-4-nitrobenzene1427-07-257 % similar 2-Fluoro-4-methyl-1-nitrobenzene446-34-457 % similar

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

Same formula

4-Amino-2,2-difluoro-1,3-benzodioxole106876-54-4 2-Amino-4,6-difluorobenzoic acid126674-77-9 2-Amino-3,5-difluorobenzoic acid126674-78-0 1,2-Difluoro-4-methyl-5-nitrobenzene127371-50-0 5-Amino-2,2-difluoro-1,3-benzodioxole1544-85-0 4-Amino-2,3-difluorobenzoic acid194804-85-8 3-Amino-2,6-difluorobenzoic acid83141-11-1

Elsewhere

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