6,12-Dibromochrysene

C₁₈H₁₀Br₂CAS 131222-99-6386.09 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₈H₁₀Br₂
Molar mass: 386.09 g/mol
Exact mass: 383.9149 Da
logP: 6.67Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed97.6% of notifiers
H413 May cause long lasting harmful effects to aquatic life100% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P273, P301+P317, P330, P501

Identifiers

CAS number

131222-99-6

SMILES

C1=CC=C2C(=C1)C(=CC3=C2C=C(C4=CC=CC=C43)Br)Br

InChIKey

RULVBMDEPWAFIN-UHFFFAOYSA-N

InChI

InChI=1S/C18H10Br2/c19-17-10-16-12-6-2-4-8-14(12)18(20)9-15(16)11-5-1-3-7-13(11)17/h1-10H

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Work with 6,12-Dibromochrysene

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-Bromophenanthrene573-17-168 % similar 1,4-Dibromonaphthalene83-53-463 % similar 1,5-Dibromonaphthalene7351-74-858 % similar 2,3,6,7,10,11-Hexabromotriphenylene82632-80-256 % similar 2-Bromobenzo[9,10]phenanthrene19111-87-652 % similar 1,2-Dibromobenzene583-53-950 % similar 4-Bromobenzo[A]anthracene61921-39-950 % similar 5-Bromo-7H-benzo(c)carbazole131409-18-248 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,7-Dibromotriphenylene888041-37-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook