79885-46-4 Purity
96%
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Specification
The molecular formula of 4-(Benzyloxy)benzyl chloride is C14H13ClO.
The molecular weight of 4-(Benzyloxy)benzyl chloride is 232.70 g/mol.
The IUPAC name of 4-(Benzyloxy)benzyl chloride is 1-(chloromethyl)-4-phenylmethoxybenzene.
The InChI of 4-(Benzyloxy)benzyl chloride is InChI=1S/C14H13ClO/c15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13/h1-9H,10-11H2.
The InChIKey of 4-(Benzyloxy)benzyl chloride is UYQPSKUPEXAQRJ-UHFFFAOYSA-N.
The canonical SMILES of 4-(Benzyloxy)benzyl chloride is C1=CC=C(C=C1)COC2=CC=C(C=C2)CCl.
The CAS number of 4-(Benzyloxy)benzyl chloride is 836-42-0.
The UNII of 4-(Benzyloxy)benzyl chloride is S2XM7MMW4S.
4-(Benzyloxy)benzyl chloride has 4 rotatable bonds.
Yes, 4-(Benzyloxy)benzyl chloride is the canonicalized form.
Reference: [1]Journal of the American Chemical Society,2003,vol. 125,p. 8112 - 8113
Reference: [1] Journal of the Chemical Society. Perkin transactions 1, 1980, vol. 1, p. 31 - 42
Reference: [1] Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1982, # 9, p. 2051 - 2058
[2] Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1982, # 9, p. 2051 - 2058
Reference: [1] Bioorganic and Medicinal Chemistry, 2006, vol. 14, # 6, p. 2022 - 2031
[2] MedChemComm, 2015, vol. 6, # 4, p. 547 - 554
Reference: [1]Justus Liebigs Annalen der Chemie,1970,vol. 733,p. 125 - 140
* For details of the synthesis route, please refer to the original source to ensure accuracy.