3-Bromophenanthrene-9,10-dione

C₁₄H₇BrO₂CAS 13292-05-2287.11 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₁₄H₇BrO₂
Molar mass: 287.11 g/mol
Exact mass: 285.9629 Da
logP: 3.50Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Identifiers

CAS number

13292-05-2

SMILES

C1=CC=C2C(=C1)C3=C(C=CC(=C3)Br)C(=O)C2=O

InChIKey

OFVPOKPVPJPQAY-UHFFFAOYSA-N

InChI

InChI=1S/C14H7BrO2/c15-8-5-6-11-12(7-8)9-3-1-2-4-10(9)13(16)14(11)17/h1-7H

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Names and synonyms

1 names

3-Bromo-9,10-phenanthrenedione

Work with 3-Bromophenanthrene-9,10-dione

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

3,6-Dibromo-9,10-phenanthrenedione53348-05-381 % similar 2,7-Dibromo-9-fluorenone14348-75-548 % similar 1,2-Bis(2-chlorophenyl)-1,2-ethanedione21854-95-542 % similar Fluorenone486-25-942 % similar 4-Bromophthalic acid6968-28-142 % similar 4-Bromophthalic anhydride86-90-842 % similar Pyranthrone128-70-141 % similar 5-Bromoisatin87-48-941 % similar

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

Elsewhere

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