2-((2-((6-Bromohexyl)oxy)ethoxy)methyl)-1,3-dichlorobenzene

C₁₅H₂₁BrCl₂O₂CAS 503070-57-3384.13 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ether

Properties

Molecular formula: C₁₅H₂₁BrCl₂O₂
Molar mass: 384.13 g/mol
Exact mass: 382.0102 Da
logP: 5.48Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 11

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation75% of notifiers
H319 Causes serious eye irritation75% of notifiers
H335 May cause respiratory irritation75% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

503070-57-3

SMILES

C1=CC(=C(C(=C1)Cl)COCCOCCCCCCBr)Cl

InChIKey

AKLUHFHHUBIDQA-UHFFFAOYSA-N

InChI

InChI=1S/C15H21BrCl2O2/c16-8-3-1-2-4-9-19-10-11-20-12-13-14(17)6-5-7-15(13)18/h5-7H,1-4,8-12H2

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Names and synonyms

1 names

Benzene, 2-[[2-[(6-bromohexyl)oxy]ethoxy]methyl]-1,3-dichloro

Work with 2-((2-((6-Bromohexyl)oxy)ethoxy)methyl)-1,3-dichlorobenzene

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

Benzyl 4-bromobutyl ether60789-54-051 % similar 2-[(2,6-Dichlorobenzyl)oxy]ethanol85309-91-751 % similar Benzyl 3-bromopropyl ether54314-84-045 % similar Vilanterol503068-34-642 % similar 1,3-Dichloro-2-(methoxymethyl)benzene33486-90-741 % similar 2,6-Dichlorobenzyl bromide20443-98-540 % similar (4-Bromobutoxy)benzene1200-03-938 % similar Benzyl 2-bromoethyl ether1462-37-936 % similar

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

Elsewhere

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