| CAS Number: 107947-17-1 methyl 3-bromo-4-chlorobenzoate |
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| General Information | ||||||
| Product Number: 107947171
CAS Registry Number: 107947-17-1
Name:
Benzoic acid, 3-bromo-4-chloro-, methyl ester
3-Bromo-4-chlorobenzoic acid methyl ester; Methyl 3-bromo-4-chlorobenzoate
Chemical Formula: C8H6BrClO2
Exact Mass: 247.92
Molecular Weight: 249.49
m/z: 249.92 (100.0%), 247.92 (77.4%), 251.92 (24.1%), 248.93 (6.8%), 250.93 (6.7%), 250.92 (2.1%), 252.92 (2.1%)
Elemental Analysis: C, 38.51; H, 2.42; Br, 32.03; Cl, 14.21; O, 12.83
InChI: InChI=1S/C8H6BrClO2/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4H,1H3
InChIKey: CLRJXWANIVYEHH-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=CC(=C(C=C1)Cl)Br
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Specification |
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98% |
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| References | ||||||
PCT Int. Appl. (2013), WO 2013064543 A1 20130510. PCT Int. Appl. (2013), WO 2013025805 A1 20130221. |
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