1260606-50-5 Purity
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Specification
The molecular formula of 3-Chloro-4-fluorobenzyl bromide is C7H5BrClF.
The molecular weight of 3-Chloro-4-fluorobenzyl bromide is 223.47 g/mol.
The IUPAC name of 3-Chloro-4-fluorobenzyl bromide is 4-(bromomethyl)-2-chloro-1-fluorobenzene.
The InChI of 3-Chloro-4-fluorobenzyl bromide is InChI=1S/C7H5BrClF/c8-4-5-1-2-7(10)6(9)3-5/h1-3H,4H2.
The InChIKey of 3-Chloro-4-fluorobenzyl bromide is GGTQWWTYUKXFPP-UHFFFAOYSA-N.
The canonical SMILES of 3-Chloro-4-fluorobenzyl bromide is C1=CC(=C(C=C1CBr)Cl)F.
The CAS number of 3-Chloro-4-fluorobenzyl bromide is 192702-01-5.
The EC number of 3-Chloro-4-fluorobenzyl bromide is 631-574-6.
Yes, 3-Chloro-4-fluorobenzyl bromide is a canonicalized compound.
Reference: [1] Patent: US6737435, 2004, B1, . Location in patent: Page/Page column 17-18
Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2013, vol. 23, # 24, p. 6842 - 6846
[2] Chemical Biology and Drug Design, 2016, p. 97 - 109
Reference: [1] Journal of medicinal chemistry, 1967, vol. 10, # 1, p. 64 - 66
Reference: [1]Journal of medicinal chemistry,1967,vol. 10,p. 64 - 66
Reference: [1]Journal of medicinal chemistry,1967,vol. 10,p. 64 - 66
Reference: [1]Patent: WO2003/82861,2003,A2 .Location in patent: Page/Page column 44
* For details of the synthesis route, please refer to the original source to ensure accuracy.