9-Bromo-10-phenylanthracene

C₂₀H₁₃BrCAS 23674-20-6333.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₀H₁₃Br
Molar mass: 333.23 g/mol
Exact mass: 332.0201 Da
logP: 6.42Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed97.5% of notifiers
H319 Causes serious eye irritation97.5% of notifiers
H413 May cause long lasting harmful effects to aquatic life100% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number

23674-20-6

SMILES

C1=CC=C(C=C1)C2=C3C=CC=CC3=C(C4=CC=CC=C42)Br

InChIKey

WHGGVVHVBFMGSG-UHFFFAOYSA-N

InChI

InChI=1S/C20H13Br/c21-20-17-12-6-4-10-15(17)19(14-8-2-1-3-9-14)16-11-5-7-13-18(16)20/h1-13H

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Names and synonyms

1 names

9-Bromo-10-phenyl-anthracene

Work with 9-Bromo-10-phenylanthracene

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-(4′-Biphenylyl)-10-bromoanthracene400607-05-891 % similar 9-Bromo-10-[1,1′:3′,1′′-terphenyl]-5′-ylanthracene474688-74-976 % similar 9([1,1`-Biphenyl]-4-yl)-10-bromo-2-phenylanthracene1195975-03-174 % similar Babpa-B844679-02-373 % similar 10,10'-Dibromo-9,9'-bianthryl121848-75-771 % similar 9,10-Diphenylanthracene1499-10-170 % similar 9-(2-Biphenylyl)-10-bromoanthracene400607-16-169 % similar 9,10-Dibromoanthracene523-27-365 % similar

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

Same formula

9-(4-Bromophenyl)phenanthrene853945-49-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook