Cas no 87979-54-2 (Pentanoyl chloride, 2-[3-(dodecyloxy)phenoxy]-)
![Pentanoyl chloride, 2-[3-(dodecyloxy)phenoxy]- structure](https://ossimg.kuujia.com/scimg/88000/87979-54-2x500.png)
87979-54-2 structure
Product Name:Pentanoyl chloride, 2-[3-(dodecyloxy)phenoxy]-
CAS No:87979-54-2
MF:C23H37ClO3
MW:396.99108672142
CID:649648
PubChem ID:71411638
Update Time:2025-04-19
Pentanoyl chloride, 2-[3-(dodecyloxy)phenoxy]- Chemical and Physical Properties
Names and Identifiers
-
- Pentanoyl chloride, 2-[3-(dodecyloxy)phenoxy]-
- 2-(3-dodecoxyphenoxy)pentanoyl chloride
- 87979-54-2
- 2-[3-(DODECYLOXY)PHENOXY]PENTANOYL CHLORIDE
- DTXSID20831237
-
- Inchi： 1S/C23H37ClO3/c1-3-5-6-7-8-9-10-11-12-13-18-26-20-16-14-17-21(19-20)27-22(15-4-2)23(24)25/h14,16-17,19,22H,3-13,15,18H2,1-2H3
- InChI Key： ZNHDNQBRYNLINV-UHFFFAOYSA-N
- SMILES： ClC(C(CCC)OC1=CC=CC(=C1)OCCCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 396.2431227g/mol
- Monoisotopic Mass: 396.2431227g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 27
- Rotatable Bond Count: 17
- Complexity: 362
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 9.3
- Topological Polar Surface Area: 35.5?2
Pentanoyl chloride, 2-[3-(dodecyloxy)phenoxy]- Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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