4-Bromo-1-chloro-2-[(4-ethoxyphenyl)methyl]benzene

C₁₅H₁₄BrClOCAS 461432-23-5325.63 g/mol

Open in Covalent MOL file

Aryl halide Ether

Properties

Molecular formula: C₁₅H₁₄BrClO
Molar mass: 325.63 g/mol
Exact mass: 323.9917 Da
logP: 5.09Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 4

Hazards

Danger

H302 Harmful if swallowed14.6% of notifiers
H312 Harmful in contact with skin12.5% of notifiers
H318 Causes serious eye damage81.2% of notifiers
H332 Harmful if inhaled12.5% of notifiers
H400 Very toxic to aquatic life81.2% of notifiers
H410 Very toxic to aquatic life with long lasting effects81.2% of notifiers

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P321, P330, P362+P364, P391, P501

Identifiers

CAS number

461432-23-5

SMILES

CCOc1ccc(Cc2cc(Br)ccc2Cl)cc1

InChIKey

ZUNCHZBITMUSRD-UHFFFAOYSA-N

InChI

InChI=1S/C15H14BrClO/c1-2-18-14-6-3-11(4-7-14)9-12-10-13(16)5-8-15(12)17/h3-8,10H,2,9H2,1H3

Weigh it out

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

Names and synonyms

4 names

Benzene, 4-bromo-1-chloro-2-[(4-ethoxyphenyl)methyl]-
4-Bromo-1-chloro-2-(4-ethoxybenzyl)benzene
(5-Bromo-2-chlorophenyl)(4-ethoxyphenyl)methylene
4-Bromo-1-chloro-2-(4-ethoxy-benzyl)-benzene

Work with 4-Bromo-1-chloro-2-[(4-ethoxyphenyl)methyl]benzene

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

4-Iodo-1-chloro-2-(4-ethoxybenzyl)benzene1103738-29-969 % similar 4-(5-Bromo-2-chlorobenzyl)phenol864070-18-860 % similar (S)-3-(4-(5-Bromo-2-chlorobenzyl)phenoxy)tetrahydrofuran915095-89-558 % similar (5-Bromo-2-chlorophenyl)(4-ethoxyphenyl)methanone461432-22-456 % similar 4-Bromophenetole588-96-556 % similar Sotagliflozin1018899-04-151 % similar Dapagliflozin461432-26-851 % similar 1-Bromo-3-ethoxybenzene2655-84-750 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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