3-Bromobenzanthrone

C₁₇H₉BrOCAS 81-96-9309.16 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₁₇H₉BrO
Molar mass: 309.16 g/mol
Exact mass: 307.9837 Da
Melting point: 167 °C
logP: 4.81Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H317 May cause an allergic skin reaction97.9% of notifiers
H331 Toxic if inhaled97.9% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled97.9% of notifiers

Aggregated from 2,051 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P261, P264, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P316, P321, P330, P333+P317, P342+P316, P362+P364, P403, P403+P233, P405, P501

Identifiers

CAS number

81-96-9

SMILES

O=C1c2ccccc2-c2ccc(Br)c3cccc1c23

InChIKey

WVECFEIAZAKUNF-UHFFFAOYSA-N

InChI

InChI=1S/C17H9BrO/c18-15-9-8-11-10-4-1-2-5-12(10)17(19)14-7-3-6-13(15)16(11)14/h1-9H

Weigh it out

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

Names and synonyms

5 names

7H-Benz[de]anthracen-7-one, 3-bromo-
3-Bromo-7H-benz[de]anthracen-7-one
NSC 13976
3-Bromobenzo[b]phenalen-7-one
3-Bromo-7H-benzo[de]anthracen-7-one

Work with 3-Bromobenzanthrone

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

3,9-Dibromo-7H-benz[de]anthracen-7-one81-98-176 % similar Dibromodibenzo[b,def]chrysene-7,14-dione1324-11-463 % similar 3-Bromofluoranthene13438-50-161 % similar Benzanthrone82-05-360 % similar Violanthrone116-71-258 % similar Isoviolanthrone128-64-358 % similar 4-Bromo-9H-fluoren-9-one4269-17-458 % similar Fluorenone486-25-955 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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