chempirical

1-Fluoro-3-methyl-5-nitrobenzene

C7H6FNO2CAS 499-08-1155.13 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
499-08-1
SMILES
CC1=CC(=CC(=C1)F)[N+](=O)[O-]
InChIKey
IPMURRZVEWZEPP-UHFFFAOYSA-N
InChI
InChI=1S/C7H6FNO2/c1-5-2-6(8)4-7(3-5)9(10)11/h2-4H,1H3

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Names and synonyms

1 names
  • 3-Fluoro-5-nitrotoluene

Work with 1-Fluoro-3-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

1,3-Difluoro-5-nitrobenzene2265-94-371 % similar 1,3-Dimethyl-5-nitrobenzene99-12-771 % similar 1-Bromo-3-fluoro-5-nitrobenzene7087-65-261 % similar 3-Fluoro-5-nitrobenzenamine2369-12-259 % similar 1-Fluoro-3-iodo-5-nitrobenzene3819-88-359 % similar 1-Fluoro-3-nitrobenzene402-67-555 % similar 3-Nitrotoluene99-08-153 % similar Nitromesitylene603-71-452 % 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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