2-(Bromomethyl)-2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolane

C₁₃H₁₅BrCl₂O₂CAS 60207-89-8354.07 g/mol

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Acetal Alkyl halide Aryl halide Ether

Properties

Molecular formula: C₁₃H₁₅BrCl₂O₂
Molar mass: 354.07 g/mol
Exact mass: 351.9632 Da
logP: 4.76Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 4

Identifiers

CAS number

60207-89-8

SMILES

CCCC1COC(CBr)(c2ccc(Cl)cc2Cl)O1

InChIKey

PJVTZAKVRVBCMJ-UHFFFAOYSA-N

InChI

InChI=1S/C13H15BrCl2O2/c1-2-3-10-7-17-13(8-14,18-10)11-5-4-9(15)6-12(11)16/h4-6,10H,2-3,7-8H2,1H3

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Names and synonyms

2 names

1,3-Dioxolane, 2-(bromomethyl)-2-(2,4-dichlorophenyl)-4-propyl-
2-Bromomethyl-2-(2,4-dichlorophenyl)-4-propyldioxolane

Work with 2-(Bromomethyl)-2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolane

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

Propiconazole60207-90-163 % similar cis-[2-Bromomethyl-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methyl benzoate61397-56-660 % similar 2-(Bromomethyl)-2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolane873012-43-255 % similar 1,3-Dioxolane-4-methanol, 2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-, 4-methanesulfonate, (2R,4R)-rel-67914-86-743 % similar 1,3-Dioxolane-4-methanol, 2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-, 4-(4-methylbenzenesulfonate), (2R,4R)-rel-134071-44-640 % similar Terconazole67915-31-538 % similar Azaconazole60207-31-037 % similar Ketoconazole65277-42-137 % similar

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

Elsewhere

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