(S)-2,4-Dichloro-A-(chloromethyl)-benzenemethanol

C₉H₉Cl₃O₃SCAS 229334-55-8303.58 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Sulfonate ester

Properties

Molecular formula: C₉H₉Cl₃O₃S
Molar mass: 303.58 g/mol
Exact mass: 301.9338 Da
logP: 3.25Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 4

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

229334-55-8

SMILES

CS(=O)(=O)OC(CCl)C1=C(C=C(C=C1)Cl)Cl

InChIKey

RLMONYZNSJOXOH-UHFFFAOYSA-N

InChI

InChI=1S/C9H9Cl3O3S/c1-16(13,14)15-9(5-10)7-3-2-6(11)4-8(7)12/h2-4,9H,5H2,1H3

Weigh it out

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Names and synonyms

1 names

Benzenemethanol, 2,4-dichloro-alpha-(chloromethyl)-, 1-methanesulfonate

Work with (S)-2,4-Dichloro-A-(chloromethyl)-benzenemethanol

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

(S)-2-Chloro-1-(2,4-dichlorophenyl)ethanol126534-31-448 % similar (alphaR)-2,4-Dichloro-alpha-methylbenzenemethanamine133773-29-240 % similar 1-(2,4-Dichlorophenyl)ethylamine89981-75-940 % similar Miconazole22916-47-836 % similar Econazole27220-47-935 % similar Isoconazole27523-40-635 % similar 2,4-Dichlorobenzenesulfonyl chloride16271-33-335 % similar 1,3-Dioxolane-4-methanol, 2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-, 4-methanesulfonate, (2R,4R)-rel-67914-86-734 % similar

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

Elsewhere

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