| CAS Number: 1031927-03-3 methyl 2-bromo-5-cyanobenzoate |
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| General Information | ||||||
| Product Number: 1031927033
CAS Registry Number: 1031927-03-3
Name:
Benzoic acid, 2-bromo-5-cyano-, methyl ester
Chemical Formula: C9H6BrNO2
Exact Mass: 238.96
Molecular Weight: 240.05
m/z: 238.96 (100.0%), 240.96 (98.1%), 239.96 (10.2%), 241.96 (9.6%)
Elemental Analysis: C, 45.03; H, 2.52; Br, 33.29; N, 5.83; O, 13.33
InChI: InChI=1S/C9H6BrNO2/c1-13-9(12)7-4-6(5-11)2-3-8(7)10/h2-4H,1H3
InChIKey: SILKGSBMCDUFGF-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=C(C=CC(=C1)C#N)Br
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Specification |
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98% |
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| References | ||||||
PCT Int. Appl. (2013), WO 2013041468 A1 20130328. Tetrahedron Letters (2012), 53(46), 6245-6249. |
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