Cas no 62176-20-9 (Benzoic acid, 5-chloro-2-(dodecyloxy)-)
62176-20-9 structure
Product Name:Benzoic acid, 5-chloro-2-(dodecyloxy)-
CAS No:62176-20-9
MF:C19H29ClO3
MW:340.884765386581
CID:455452
PubChem ID:4518742
Update Time:2025-04-19
Benzoic acid, 5-chloro-2-(dodecyloxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 5-chloro-2-(dodecyloxy)-
- 5-chloro-2-dodecoxybenzoic acid
- AKOS024408826
- 5-CHLORO-2-(DODECYLOXY)BENZOIC ACID
- 62176-20-9
- DTXSID90403864
-
- Inchi： 1S/C19H29ClO3/c1-2-3-4-5-6-7-8-9-10-11-14-23-18-13-12-16(20)15-17(18)19(21)22/h12-13,15H,2-11,14H2,1H3,(H,21,22)
- InChI Key： YYMSSJDFJQWJHA-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=C(C(=O)O)C=1)OCCCCCCCCCCCC
Computed Properties
- Exact Mass: 340.18067
- Monoisotopic Mass: 340.1805225g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 23
- Rotatable Bond Count: 13
- Complexity: 309
- 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: 7.8
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
Benzoic acid, 5-chloro-2-(dodecyloxy)- Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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