4-Bromobenzo[A]anthracene

C₁₈H₁₁BrCAS 61921-39-9307.19 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₈H₁₁Br
Molar mass: 307.19 g/mol
Exact mass: 306.0044 Da
logP: 5.91Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

61921-39-9

SMILES

C1=CC=C2C=C3C(=CC2=C1)C=CC4=C3C=CC=C4Br

InChIKey

ILVKEMDEUCXCAB-UHFFFAOYSA-N

InChI

InChI=1S/C18H11Br/c19-18-7-3-6-15-16(18)9-8-14-10-12-4-1-2-5-13(12)11-17(14)15/h1-11H

Weigh it out

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Names and synonyms

1 names

Benz(a)anthracene, 4-bromo-

Work with 4-Bromobenzo[A]anthracene

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

9-Bromophenanthrene573-17-161 % similar Benz[a]anthracene56-55-359 % similar 1-Bromonaphthalene90-11-956 % similar 1,5-Dibromonaphthalene7351-74-852 % similar Dibenz[a,h]anthracene53-70-352 % similar 6,12-Dibromochrysene131222-99-650 % similar Benzo[b]triphenylene215-58-750 % similar 2,2'-Dibromo-1,1'-binaphthyl74866-28-750 % similar

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

Same formula

2-Bromobenzo[9,10]phenanthrene19111-87-6

Elsewhere

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