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CAS Number: 630422-89-8
1-chloro-7-fluoroisoquinoline

Structure

1-chloro-7-fluoroisoquinoline
Name: 1-chloro-7-fluoroisoquinoline
Synonyms:
General Information
Product Number: 630422898
CAS Registry Number: 630422-89-8
Name:
        Isoquinoline, 1-​chloro-​7-​fluoro-
        1-​Chloro-​7-​fluoroisoquinoline 
 
Chemical Formula: C9H5ClFN
Exact Mass: 181.01
Molecular Weight: 181.59
m/z: 181.01 (100.0%), 183.01 (32.0%), 182.01 (10.1%), 184.01 (3.1%)
Elemental Analysis: C, 59.53; H, 2.78; Cl, 19.52; F, 10.46; N, 7.71
 
InChI: InChI=1S/C9H5ClFN/c10-9-8-5-7(11)2-1-6(8)3-4-12-9/h1-5H
InChIKey: WZJWWTFRSPUCDG-UHFFFAOYSA-N
Canonical SMILES : C1=CC(=CC2=C1C=CN=C2Cl)F

Specification

98%

References
  1. (1) Wang, Xiangdong Alan; WO 2003099274 A1 2003 CAPLUS
  2. (2) McPhee, Fiona; WO 2004094452 A2 2004 CAPLUS
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