1196107-73-9

C₂₃H₁₅BrO₂CAS 1196107-73-9403.28 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₂₃H₁₅BrO₂
Molar mass: 403.28 g/mol
Exact mass: 402.0255 Da
logP: 5.53Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Identifiers

CAS number

1196107-73-9

SMILES

CC1(C2=CC3=C(C=C2C4=C1C=C(C=C4)Br)C(=O)C5=CC=CC=C5C3=O)C

InChIKey

NREMKCAHBDRWFB-UHFFFAOYSA-N

InChI

InChI=1S/C23H15BrO2/c1-23(2)19-9-12(24)7-8-13(19)16-10-17-18(11-20(16)23)22(26)15-6-4-3-5-14(15)21(17)25/h3-11H,1-2H3

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Names and synonyms

1 names

2-Bromo-13,13-dimethyl-6H-indeno(1,2-b)anthracene-6,11(13H)-dione

Work with 1196107-73-9

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

2-Bromo-11,11-dimethyl-11H-benzo[B]fluorene1198396-39-261 % similar 2,7-Dibromo-9,9-dimethylfluorene28320-32-359 % similar 3-Bromo-9,9-dimethylfluorene1190360-23-652 % similar (7-Bromo-9,9-dimethyl-9H-fluoren-2-yl)boronic Acid (contains varying amounts of Anhydride)1213768-48-950 % similar 10,10-Dimethyl-9(10H)-anthracenone5447-86-950 % similar 5,9-Dibromo-7,7-dimethyl-7H-benzo(c)fluorene1056884-35-548 % similar 2,7-Dibromo-9-fluorenone14348-75-548 % similar 9-Bromo-7,7-dimethyl-7H-benzo[C]fluorene1198396-46-147 % similar

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

Elsewhere

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