| CAS Number: 37497-86-2 methyl 1-chloroisoquinoline-4-carboxylate |
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| General Information | ||||||
| Product Number: 37497862
CAS Registry Number: 37497-86-2
Name:
4-Isoquinolinecarboxylic acid, 1-chloro-, methyl ester
Methyl 1-chloroisoquinoline-4-carboxylate
Chemical Formula: C11H8ClNO2
Exact Mass: 221.02
Molecular Weight: 221.64
m/z: 221.02 (100.0%), 223.02 (32.0%), 222.03 (12.1%), 224.02 (3.9%), 223.03 (1.1%)
Elemental Analysis: C, 59.61; H, 3.64; Cl, 16.00; N, 6.32; O, 14.44
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: YTJDBMFLRYQTPT-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=CN=C(C2=CC=CC=C21)Cl
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Specification |
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98% |
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| References | ||||||
PCT Int. Appl. (2014), WO 2014068988 A1 20140508. PCT Int. Appl. (2012), WO 2012090179 A2 20120705. |
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