Cas no 117241-33-5 (Benzoyl chloride, 3,4,5-tris(dodecyloxy)-)
117241-33-5 structure
Product Name:Benzoyl chloride, 3,4,5-tris(dodecyloxy)-
CAS No:117241-33-5
MF:C43H77ClO4
MW:693.52209353447
CID:1206594
PubChem ID:14196730
Update Time:2025-04-20
Benzoyl chloride, 3,4,5-tris(dodecyloxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzoyl chloride, 3,4,5-tris(dodecyloxy)-
- 3,4,5-tridodecoxybenzoyl chloride
- 3,4,5-TRIS(DODECYLOXY)BENZOYL CHLORIDE
- SCHEMBL5496420
- HPYWLOVESKFEQS-UHFFFAOYSA-N
- 117241-33-5
- 3,4,5-tri(dodecan-1-yloxy)benzoyl chloride
- DTXSID00557226
-
- Inchi： 1S/C43H77ClO4/c1-4-7-10-13-16-19-22-25-28-31-34-46-40-37-39(43(44)45)38-41(47-35-32-29-26-23-20-17-14-11-8-5-2)42(40)48-36-33-30-27-24-21-18-15-12-9-6-3/h37-38H,4-36H2,1-3H3
- InChI Key： HPYWLOVESKFEQS-UHFFFAOYSA-N
- SMILES： ClC(C1C=C(C(=C(C=1)OCCCCCCCCCCCC)OCCCCCCCCCCCC)OCCCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 692.55141
- Monoisotopic Mass: 692.5510386g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 48
- Rotatable Bond Count: 37
- Complexity: 637
- 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: 19.1
- Topological Polar Surface Area: 44.8?2
Experimental Properties
- PSA: 44.76
Benzoyl chloride, 3,4,5-tris(dodecyloxy)- Related Literature
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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