(Q82301210)

English

1-[(1aR,10bS)-1,1-Difluoro-1,1a,6,10b-tetrahydrodibenzo[a,e]cyclopropa[c][7]annulen-6-yl]pyrazin-1-ium bromide

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Statements

type of chemical entity

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chemical compound

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400.03866702000005 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₀H₁₅BrF₂N₂

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

FC1(F)C2c3ccccc3C([n+]3ccncc3)c3ccccc3C21.[Br-]

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

FC1(F)[C@@H]2c3ccccc3C([n+]3ccncc3)c3ccccc3[C@@H]21.[Br-]

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C20H15F2N2.BrH/c21-20(22)17-13-5-1-3-7-15(13)19(24-11-9-23-10-12-24)16-8-4-2-6-14(16)18(17)20;/h1-12,17-19H;1H/q+1;/p-1/t17-,18+,19?;

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UGZHNXNWQHBBPO-FMJRHHGGSA-M

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CAS Registry Number

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26 December 2021

UniChem compound ID

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DSSTox substance ID

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DSSTOX compound identifier

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