| CAS Number: 936923-58-9 ethyl 5-bromobenzo[d]isothiazole-3-carboxylate |
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| General Information | ||||||
| Product Number: 936923589
CAS Registry Number: 936923-58-9
Name:
1,2-Benzisothiazole-3-carboxylic acid, 5-bromo-, ethyl ester
Chemical Formula: C10H8BrNO2S
Exact Mass: 284.95
Molecular Weight: 286.15
m/z: 286.94 (100.0%), 284.95 (98.2%), 285.95 (11.6%), 287.95 (11.0%), 288.94 (4.4%), 287.94 (1.1%), 286.95 (1.1%), 288.95 (1.0%)
Elemental Analysis: C, 41.97; H, 2.82; Br, 27.92; N, 4.89; O, 11.18; S, 11.21
InChI: InChI=1S/C10H8BrNO2S/c1-2-14-10(13)9-7-5-6(11)3-4-8(7)15-12-9/h3-5H,2H2,1H3
InChIKey: SKRZNSLSIGQHEG-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=NSC2=C1C=C(C=C2)Br
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Specification |
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98% |
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| References | ||||||
PCT Int. Appl. (2007), WO 2007056582 A1 20070518. |
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