3,4-Dichlorobenzaldehyde oxime

C₇H₅Cl₂NOCAS 5331-92-0190.02 g/mol

Open in Covalent MOL file

Aryl halide Oxime

Properties

Molecular formula: C₇H₅Cl₂NO
Molar mass: 190.02 g/mol
Exact mass: 188.9748 Da
logP: 2.80Crippen estimate
Polar surface area: 32.6 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1
Double bonds: EE/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

5331-92-0

SMILES

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

InChIKey

ROBIUDOANJUDHD-ONNFQVAWSA-N

InChI

InChI=1S/C7H5Cl2NO/c8-6-2-1-5(4-10-11)3-7(6)9/h1-4,11H/b10-4+

Weigh it out

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Work with 3,4-Dichlorobenzaldehyde 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

2-Chlorobenzaldehyde oxime3717-28-052 % similar 3,4-Dichlorobenzaldehyde6287-38-350 % similar 1,3-Benzodioxole-5-carboxaldehyde oxime2089-36-346 % similar 2-Chloro-6-fluorobenzaldehyde oxime443-33-446 % similar [C(Z)]-4-Fluorobenzaldehyde oxime588-95-445 % similar Benzaldehyde oxime932-90-145 % similar 3-(Trifluoromethyl)benzaldoxime368-83-244 % similar 3,4-Dichlorocinnamic acid1202-39-743 % similar

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

Same formula

2,6-Dichlorobenzamide2008-58-4 2,4-Dichlorobenzamide2447-79-2 2,6-Dichlorobenzaldehyde oxime25185-95-9 2-Chloro-6-methylpyridine-4-carbonyl chloride26413-58-1 3,4-Dichlorobenzamide2670-38-4 3,5-Dichlorobenzamide5980-23-4 2,5-Dichlorobenzamide5980-26-7

Elsewhere

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