(2E)-N-(4-Fluorophenyl)-2-(hydroxyimino)acetamide

C₈H₇FN₂O₂CAS 351-09-7182.15 g/mol

Open in Covalent MOL file

Amide Aryl halide Oxime

Properties

Molecular formula: C₈H₇FN₂O₂
Molar mass: 182.15 g/mol
Exact mass: 182.0492 Da
logP: 1.22Crippen estimate
Polar surface area: 61.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2
Double bonds: EE/Z, in SMILES order

Hazards

Warning

H302 Harmful if swallowed66.7% of notifiers
H312 Harmful in contact with skin66.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled66.7% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

351-09-7

SMILES

C1=CC(=CC=C1NC(=O)/C=N/O)F

InChIKey

DXSBFTGUEOWLSD-BJMVGYQFSA-N

InChI

InChI=1S/C8H7FN2O2/c9-6-1-3-7(4-2-6)11-8(12)5-10-13/h1-5,13H,(H,11,12)/b10-5+

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Names and synonyms

1 names

4-Fluoroisonitrosoacetanilide

Work with (2E)-N-(4-Fluorophenyl)-2-(hydroxyimino)acetamide

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-[(4-Fluorophenyl)amino]-4-oxo-2-butenoic acid60252-79-156 % similar 2-Chloro-N-(4-fluorophenyl)acetamide351-04-243 % similar [C(Z)]-4-Fluorobenzaldehyde oxime588-95-442 % similar 1-(4-Fluorophenylcarbamoyl)cyclopropanecarboxylic acid849217-48-740 % similar 4-(4-Fluorophenyl)thiosemicarbazide330-94-939 % similar N-(4-Fluorophenyl)thiourea459-05-238 % similar Carbonic anhydrase ix/xii inhibitor ii(U-104)178606-66-138 % similar Isonitrosoacetophenone532-54-735 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook