4-Chlorobenzamidoxime

C₇H₇ClN₂OCAS 5033-28-3170.60 g/mol

Open in Covalent MOL file

Amidine Aryl halide Oxime

Properties

Molecular formula: C₇H₇ClN₂O
Molar mass: 170.60 g/mol
Exact mass: 170.0247 Da
logP: 1.43Crippen 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

5033-28-3

SMILES

C1=CC(=CC=C1/C(=N/O)/N)Cl

InChIKey

QBGONPQFBDUVPG-UHFFFAOYSA-N

InChI

InChI=1S/C7H7ClN2O/c8-6-3-1-5(2-4-6)7(9)10-11/h1-4,11H,(H2,9,10)

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Names and synonyms

1 names

4-Chloro-N'-hydroxybenzenecarboximidamide

Work with 4-Chlorobenzamidoxime

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-Methylbenzamidoxime19227-13-560 % similar 4-Fluorobenzamidoxime22179-78-860 % similar 4-Bromo-N'-hydroxybenzenecarboximidamide69113-23-160 % similar N-Hydroxyisonicotinamidine1594-57-657 % similar N-Hydroxy-4-(trifluoromethyl)benzenecarboximidamide22179-86-856 % similar 4-(Trifluoromethoxy)benzamidoxime56935-71-850 % similar 4-Chlorobenzamide619-56-747 % similar 3-(Trifluoromethyl)benzamidoxime40067-80-946 % similar

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

Same formula

N-(2-Chloropyridin-4-yl)acetamide13602-82-9 4-Chlorophenylurea140-38-5 3-Chlorobenzohydrazide1673-47-8 3-Amino-4-chlorobenzamide19694-10-1 4-Chloro-N-methylpicolinamide220000-87-3 2-Amino-5-chlorobenzamide5202-85-7 4-Chlorobenzoic acid hydrazide536-40-3 2-Chlorobenzoic acid hydrazide5814-05-1

Elsewhere

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