(Q72488410)

English

Methyl cis-2-(4-bromobenzoyl)cyclopentanecarboxylate

chemical compound

cis-2-(4-Bromobenzoyl)cyclopentanecarboxylic acid methyl ester

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Statements

type of chemical entity

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chemical compound

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310.02045644000003 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

Methyl (1R,2R)-2-(4-bromobenzoyl)cyclopentanecarboxylate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₄H₁₅BrO₃

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canonical SMILES

COC(=O)C1CCCC1C(=O)c1ccc(Br)cc1

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

COC(=O)[C@H]1CCC[C@H]1C(=O)c1ccc(Br)cc1

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C14H15BrO3/c1-18-14(17)12-4-2-3-11(12)13(16)9-5-7-10(15)8-6-9/h5-8,11-12H,2-4H2,1H3/t11-,12+/m1/s1

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XKJACWYQAFNKQK-NEPJUHHUSA-N

1 reference

based on heuristic

inferred from InChI

CAS Registry Number

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1 reference

matched by identifier from

XKJACWYQAFNKQK-NEPJUHHUSA-N

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