Cas no 380336-33-4 ((4-Bromophenyl)methyl 4-chlorobenzoate)
380336-33-4 structure
Product Name:(4-Bromophenyl)methyl 4-chlorobenzoate
CAS No:380336-33-4
MF:C14H10BrClO2
MW:325.585002422333
CID:2937939
Update Time:2023-08-10
(4-Bromophenyl)methyl 4-chlorobenzoate Chemical and Physical Properties
Names and Identifiers
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- (4-bromophenyl)methyl 4-chlorobenzoate
- 4-bromobenzyl 4-chlorobenzoate
- 4-Chlorobenzoic acid 4-bromobenzyl ester
- Z19702037
- (4-Bromophenyl)methyl 4-chlorobenzoate
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- Inchi： 1S/C14H10BrClO2/c15-12-5-1-10(2-6-12)9-18-14(17)11-3-7-13(16)8-4-11/h1-8H,9H2
- InChI Key： DQFOGBGAQVRHCS-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=CC=1)COC(C1C=CC(=CC=1)Cl)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 269
- XLogP3: 5.3
- Topological Polar Surface Area: 26.3
(4-Bromophenyl)methyl 4-chlorobenzoate Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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