Chem
J-GLOBAL ID:200907017288006881   Nikkaji number:J520.184E

3-Bromo-2,3,3a,7b-tetrahydro-1H-cyclopenta[3,4]cyclobuta[1,2]benzene-1-carboxylic acid methyl ester

メチル 5-ブロモトリシクロ[5.4.0.02,6]ウンデカ-1(11),7,9-トリエン-3-カルボキシラート
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C13H13BrO2
Molecular formula furigana: C13-H13-BR-O2
Molecular weight: 281.149
InChI: InChI=1S/C13H13BrO2/c1-16-13(15)9-6-10(14)12-8-5-3-2-4-7(8)11(9)12/h2-5,9-12H,6H2,1H3
InChI key: OBRNLVFLNNOMOH-UHFFFAOYSA-N
SMILES: COC(=O)C1CC(Br)C2C1c1ccccc21
Systematic name  (3):
  • 3-ブロモ-2,3,3a,7b-テトラヒドロ-1H-シクロペンタ[3,4]シクロブタ[1,2]ベンゼン-1-カルボン酸メチル
  • メチル 5-ブロモトリシクロ[5.4.0.02,6]ウンデカ-1(11),7,9-トリエン-3-カルボキシラート
  • methyl 5-bromotricyclo[5.4.0.02,6]undeca-1(11),7,9-triene-3-carboxylate
Other name (1):
  • 3-Bromo-2,3,3a,7b-tetrahydro-1H-cyclopenta[3,4]cyclobuta[1,2]benzene-1-carboxylic acid methyl ester
CAS registry number: 56771-45-0
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