3-Fluoro-4-methylbenzamide oxime

C₈H₉FN₂OCAS 238742-80-8168.17 g/mol

Open in Covalent MOL file

Amidine Aryl halide Oxime

Properties

Molecular formula: C₈H₉FN₂O
Molar mass: 168.17 g/mol
Exact mass: 168.0699 Da
logP: 1.23Crippen estimate
Polar surface area: 58.6 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1
Double bonds: ZE/Z, in SMILES order

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

238742-80-8

SMILES

CC1=C(C=C(C=C1)/C(=N/O)/N)F

InChIKey

RCNTZYAQXVFCBQ-UHFFFAOYSA-N

InChI

InChI=1S/C8H9FN2O/c1-5-2-3-6(4-7(5)9)8(10)11-12/h2-4,12H,1H3,(H2,10,11)

Weigh it out

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Work with 3-Fluoro-4-methylbenzamide oxime

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

4-Methylbenzamidoxime19227-13-553 % similar 4-Fluorobenzamidoxime22179-78-853 % similar 3-Fluoro-4-methylbenzoic acid350-28-751 % similar 3-Fluoro-4-methylbenzamidine hydrochloride175277-88-051 % similar 3-Fluoro-4-methylbenzoyl chloride59189-97-848 % similar N-Hydroxy-4-(trifluoromethyl)benzenecarboximidamide22179-86-846 % similar 2,4-Difluoro-1-methylbenzene452-76-646 % similar 3-(Trifluoromethyl)benzamidoxime40067-80-945 % similar

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

Same formula

4-Fluorobenzylurea76523-24-5 4-Amino-2-fluoro-N-methylbenzamide915087-25-1

Elsewhere

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