Imidodicarbonimidic diamide, N-(2,5-difluorophenyl)-, hydrochloride (1:1)

C₈H₁₀ClF₂N₅CAS 66088-53-7249.65 g/mol

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Aryl halide Guanidine

Properties

Molecular formula: C₈H₁₀ClF₂N₅
Molar mass: 249.65 g/mol
Exact mass: 249.0593 Da
logP: 1.22Crippen estimate
Polar surface area: 97.8 Å²
H-bond donors / acceptors: 5 / 2
Rotatable bonds: 1

Identifiers

CAS number

66088-53-7

SMILES

Cl.N=C(N)NC(=N)Nc1cc(F)ccc1F

InChIKey

VVAARBLQYHGNAY-UHFFFAOYSA-N

InChI

InChI=1S/C8H9F2N5.ClH/c9-4-1-2-5(10)6(3-4)14-8(13)15-7(11)12;/h1-3H,(H6,11,12,13,14,15);1H

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Names and synonyms

1 names

Imidodicarbonimidic diamide, N-(2,5-difluorophenyl)-, monohydrochloride

Work with Imidodicarbonimidic diamide, N-(2,5-difluorophenyl)-, hydrochloride (1:1)

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

1-(4-Fluorophenyl)biguanidine hydrochloride16018-83-064 % similar 1-(o-Chlorophenyl)biguanide monohydrochloride19579-44-354 % similar 2,5-Difluorophenylhydrazine monohydrochloride175135-73-651 % similar N-m-Chlorophenylbiguanide hydrochloride2113-05-547 % similar 1-(p-Chlorophenyl)biguanide monohydrochloride4022-81-547 % similar O-Tolylbiguanide93-69-645 % similar Phenylbiguanide102-02-343 % similar Phenformin hydrochloride834-28-640 % similar

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

Same formula

1-(2,4-Difluorophenyl)biguanide hydrochloride66088-52-6

Elsewhere

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