4-Isoquinolinecarboxylic acid, 1-chloro-, methyl ester

CAS Registry Number®

37497-86-2
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CAS Name

4-Isoquinolinecarboxylic acid, 1-chloro-, methyl ester

Molecular Formula

C11H8ClNO2

Molecular Mass

221.64

Cite this Page

4-Isoquinolinecarboxylic acid, 1-chloro-, methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=37497-86-2 (retrieved 2024-04-30) (CAS RN: 37497-86-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C11H8ClNO2/c1-15-11(14)9-6-13-10(12)8-5-3-2-4-7(8)9/h2-6H,1H3

InChIKey

InChIKey=YTJDBMFLRYQTPT-UHFFFAOYSA-N

SMILES

C(OC)(=O)C=1C2=C(C(Cl)=NC1)C=CC=C2

Canonical SMILES

O=C(OC)C1=CN=C(Cl)C=2C=CC=CC12

Other Names for this Substance

  • 4-Isoquinolinecarboxylic acid, 1-chloro-, methyl ester
  • Methyl 1-chloroisoquinoline-4-carboxylate
  • 1-Chloro-isoquinoline-4-carboxylic acid methyl ester

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