chempirical

4-Fluoro-3-nitrotoluene

C7H6FNO2CAS 446-11-7155.13 g/mol

Open in Covalent MOL file
FN+OO−
Aryl halideNitro

Properties

Molecular formula
C7H6FNO2
Molar mass
155.13 g/mol
Exact mass
155.0383 Da
logP
2.04Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

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
446-11-7
SMILES
CC1=CC(=C(C=C1)F)[N+](=O)[O-]
InChIKey
OORBDHOQLZRIQR-UHFFFAOYSA-N
InChI
InChI=1S/C7H6FNO2/c1-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3

Weigh it out

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Work with 4-Fluoro-3-nitrotoluene

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

2-Fluoro-4-methyl-1-nitrobenzene446-34-475 % similar 3,4-Dinitrotoluene610-39-968 % similar 2,5-Difluoronitrobenzene364-74-966 % similar 1-Fluoro-2,4-dinitrobenzene70-34-864 % similar 1,4-Dimethyl-2-nitrobenzene89-58-764 % similar 4-Methyl-2-nitrophenol119-33-560 % similar 4-Fluoro-3-nitrophenol2105-96-660 % similar 4-Chloro-1-fluoro-2-nitrobenzene345-18-660 % similar

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

Same formula

Methyl 5-fluoropyridine-2-carboxylate107504-07-4 6-Fluoronicotinic acid methyl ester1427-06-1 2-Fluoro-1-methyl-4-nitrobenzene1427-07-2 3-Amino-4-fluorobenzoic acid2365-85-7 1-Fluoro-3-methyl-2-nitrobenzene3013-27-2 5-Fluoro-2-methoxynicotinaldehyde351410-62-3 2-Amino-6-fluorobenzoic acid434-76-4 2-Fluoro-1-methyl-3-nitrobenzene437-86-5

Elsewhere

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