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CAS Number: 214045-84-8
6-fluoro-3,4-dihydroisoquinolin-1(2H)-one

Structure

6-fluoro-3,4-dihydroisoquinolin-1(2H)-one
Name: 6-fluoro-3,4-dihydroisoquinolin-1(2H)-one
Synonyms:
General Information
Product Number: 214045848
CAS Registry Number: 214045-84-8
Name:
        1(2H)​-​Isoquinolinone, 6-​fluoro-​3,​4-​dihydro-
        6-​Fluoro-​3,​4-​dihydro-​2H-​isoquinolin-​1-​one; 6-​Fluoro-​3,​4-​dihydroisoquinolin-​1(2H)​-​one 
 
Chemical Formula: C9H8FNO
Exact Mass: 165.06
Molecular Weight: 165.16
m/z: 165.06 (100.0%), 166.06 (10.1%)
Elemental Analysis: C, 65.45; H, 4.88; F, 11.50; N, 8.48; O, 9.69
 
InChI: InChI=1S/C9H8FNO/c10-7-1-2-8-6(5-7)3-4-11-9(8)12/h1-2,5H,3-4H2,(H,11,12)
InChIKey: QAYARJVVFMRVQJ-UHFFFAOYSA-N
Canonical SMILES : C1CNC(=O)C2=C1C=C(C=C2)F
 
Thermal Properties Value Condition Note
Melting Point 116.4-117.2 °C   (2)CAS

Specification

98%

References
  1. (1) Tangallapally, Rajendra P.; Bioorganic & Medicinal Chemistry Letters 2006, V16(10), P2584-2589 CAPLUS
  2. (2) Ortega, Raquel; Bioorganic & Medicinal Chemistry Letters 2011, V21(9), P2670-2674 CAPLUS
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