Vinclozolin

C₁₂H₉Cl₂NO₃CAS 50471-44-8286.11 g/mol

Open in Covalent MOL file

Alkene Amide Aryl halide Carbamate Lactam

Properties

Molecular formula: C₁₂H₉Cl₂NO₃
Molar mass: 286.11 g/mol
Exact mass: 284.9959 Da
Density: 1.51 g/mL
Melting point: 108 °C
Boiling point: 131 °C (at 0.05 Torr)
Water solubility: 2.6 mg/L (20 °C)
logP: 3.42Crippen estimate
Polar surface area: 46.6 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Danger

H317 May cause an allergic skin reactionSensitization, Skin
H351 Suspected of causing cancerCarcinogenicity
H360FD May damage fertility; May damage the unborn childReproductive toxicity
H411 Toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 607-307-00-4), via PubChem.

Precautionary statements

P203, P261, P272, P273, P280, P302+P352, P318, P321, P333+P317, P362+P364, P391, P405, P501

Identifiers

CAS number

50471-44-8

SMILES

C=CC1(C)OC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O

InChIKey

FSCWZHGZWWDELK-UHFFFAOYSA-N

InChI

InChI=1S/C12H9Cl2NO3/c1-3-12(2)10(16)15(11(17)18-12)9-5-7(13)4-8(14)6-9/h3-6H,1H2,2H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

11 names

2,4-Oxazolidinedione, 3-(3,5-dichlorophenyl)-5-ethenyl-5-methyl-
3-(3,5-Dichlorophenyl)-5-ethenyl-5-methyl-2,4-oxazolidinedione
N-3,5-Dichlorophenyl-5-methyl-5-vinyloxazolidine-2,4-dione
Ronilan
BAS 35202F
BAS 35204
BAS 352-04F
Ranilan
Ornalin
Ronilan 50WP
(±)-Vinclozolin

Work with Vinclozolin

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

Procymidone32809-16-846 % similar N-(3,5-Dichlorophenyl)maleimide24096-52-439 % similar 3-(3,5-Dichlorophenyl)-1-methylhydantoin27387-90-233 % similar 1-(3-Chlorophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione1204-35-931 % similar N-(2,4,6-Trichlorophenyl)maleimide13167-25-431 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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