(Q82628056)

English

1-(9-Bromophenanthren-3-yl)-2-(diethylamino)propan-1-one--hydrogen chloride (1/1)

chemical compound

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Statements

type of chemical entity

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chemical compound

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419.06515413600005 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₃BrClNO

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based on heuristic

inferred from SMILES

canonical SMILES

CCN(CC)C(C)C(=O)c1ccc2cc(Br)c3ccccc3c2c1.Cl

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based on heuristic

inferred from InChI

Identifiers

InChI=1S/C21H22BrNO.ClH/c1-4-23(5-2)14(3)21(24)16-11-10-15-13-20(22)18-9-7-6-8-17(18)19(15)12-16;/h6-14H,4-5H2,1-3H3;1H

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YDWCWSSRPVPMKV-UHFFFAOYSA-N

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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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