2-[Cyano(2,3-dichlorophenyl)methylene]hydrazinecarboximidamide

C₉H₇Cl₂N₅CAS 84689-20-3256.09 g/mol

Open in Covalent MOL file

Aryl halide Guanidine Hydrazone Nitrile

Properties

Molecular formula: C₉H₇Cl₂N₅
Molar mass: 256.09 g/mol
Exact mass: 255.0079 Da
Melting point: 176–178 °C
logP: 1.70Crippen estimate
Polar surface area: 98.0 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 2

Identifiers

CAS number

84689-20-3

SMILES

N#CC(=NNC(=N)N)c1cccc(Cl)c1Cl

InChIKey

BXDSJOGMJUKSAE-UHFFFAOYSA-N

InChI

InChI=1S/C9H7Cl2N5/c10-6-3-1-2-5(8(6)11)7(4-12)15-16-9(13)14/h1-3H,(H4,13,14,16)

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Names and synonyms

3 names

Hydrazinecarboximidamide, 2-[cyano(2,3-dichlorophenyl)methylene]-
(2,3-Dichlorophenyl)(guanidinylimino)acetonitrile
2-(2,3-Dichlorophenyl)-2-guanidinyliminoacetonitrile

Work with 2-[Cyano(2,3-dichlorophenyl)methylene]hydrazinecarboximidamide

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

2,3-Dichloro-α-oxobenzeneacetonitrile77668-42-950 % similar 2,3-Dichlorobenzoic acid50-45-337 % similar 2,3-Dichlorobenzonitrile6574-97-636 % similar Guanabenz acetate23256-50-036 % similar 1-(o-Chlorophenyl)biguanide monohydrochloride19579-44-336 % similar 2-Chlorobenzamide609-66-536 % similar 2,3-Dichlorobenzoyl chloride2905-60-435 % similar 1-(2,3-Dichlorophenyl)ethanone56041-57-734 % similar

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

Same formula

Irsogladine57381-26-7 Lamotrigine84057-84-1

Elsewhere

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