Cas no 162709-86-6 (5-(Chloromethyl)-1,2,3-tris(hexadecyloxy)benzene)
162709-86-6 structure
Product Name:5-(Chloromethyl)-1,2,3-tris(hexadecyloxy)benzene
CAS No:162709-86-6
MF:C55H103ClO3
MW:847.857537508011
CID:2780668
PubChem ID:71350498
Update Time:2025-04-21
5-(Chloromethyl)-1,2,3-tris(hexadecyloxy)benzene Chemical and Physical Properties
Names and Identifiers
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- 5-(CHLOROMETHYL)-1,2,3-TRIS(HEXADECYLOXY)BENZENE
- 162709-86-6
- DTXSID40776297
- 5-(Chloromethyl)-1,2,3-tris(hexadecyloxy)benzene
-
- Inchi： 1S/C55H103ClO3/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-57-53-49-52(51-56)50-54(58-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)55(53)59-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h49-50H,4-48,51H2,1-3H3
- InChI Key： VQUAHIRNIXQLEO-UHFFFAOYSA-N
- SMILES： ClCC1C=C(C(=C(C=1)OCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 846.7595748Da
- Monoisotopic Mass: 846.7595748Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 59
- Rotatable Bond Count: 49
- Complexity: 733
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 25.5
- Topological Polar Surface Area: 27.7?2
5-(Chloromethyl)-1,2,3-tris(hexadecyloxy)benzene Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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