Benzbromarone

C₁₇H₁₂Br₂O₃CAS 3562-84-3424.09 g/mol

Open in Covalent MOL file

Aryl halide Ketone Phenol

Properties

Molecular formula: C₁₇H₁₂Br₂O₃
Molar mass: 424.09 g/mol
Exact mass: 421.9153 Da
Melting point: 151 °C
logP: 5.46Crippen estimate
Polar surface area: 50.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Hazards

Danger

H301 Toxic if swallowed98.1% of notifiers
H361 Suspected of damaging fertility or the unborn child16.7% of notifiers
H411 Toxic to aquatic life with long lasting effects20.4% of notifiers

Aggregated from 54 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P264, P270, P273, P280, P301+P316, P318, P321, P330, P391, P405, P501

Identifiers

CAS number

3562-84-3

SMILES

CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1

InChIKey

WHQCHUCQKNIQEC-UHFFFAOYSA-N

InChI

InChI=1S/C17H12Br2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3

Weigh it out

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

Names and synonyms

21 names · show all

Methanone, (3,5-dibromo-4-hydroxyphenyl)(2-ethyl-3-benzofuranyl)-
Ketone, 3,5-dibromo-4-hydroxyphenyl 2-ethyl-3-benzofuranyl
(3,5-Dibromo-4-hydroxyphenyl)(2-ethyl-3-benzofuranyl)methanone
3,5-Dibromo-4-hydroxyphenyl 2-ethyl-3-benzofuranyl ketone
2-Ethyl-3-(3,5-dibromo-4-hydroxybenzoyl)benzofuran
L 2214
Benzbromaron
Minuric
Uricovac
Desuric
L 2214-Labaz
Normurat
Azubromaron
Max-uric
Besuric
MJ 10061
Urinorm
Narcaricin
NSC 85433
(3,5-Dibromo-4-hydroxyphenyl)(2-ethylbenzofuran-3-yl)methanone
(3,5-Dibromo-4-hydroxyphenyl)-(2-ethyl-1-benzofuran-3-yl)methanone

Work with Benzbromarone

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

Benzarone1477-19-666 % similar (2-Butyl-3-benzofuranyl)(4-hydroxy-3,5-diiodophenyl)methanone1951-26-456 % similar 2-Butyl-3-(4-hydroxybenzoyl)benzofuran52490-15-050 % similar Amiodarone1951-25-340 % similar Amiodarone hydrochloride19774-82-438 % similar 3′,5′-Dibromo-4′-hydroxyacetophenone2887-72-138 % similar 3,5-Dibromo-4-hydroxybenzoic acid3337-62-036 % similar Methyl 3,5-dibromo-4-hydroxybenzoate41727-47-336 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook