Cas no 84000-61-3 (Carbonochloridic acid,isotridecyl ester (9CI))
84000-61-3 structure
Product Name:Carbonochloridic acid,isotridecyl ester (9CI)
CAS No:84000-61-3
MF:C14H27ClO2
MW:262.815984010696
CID:728287
PubChem ID:44150251
Update Time:2025-04-19
Carbonochloridic acid,isotridecyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Carbonochloridic acid,isotridecyl ester (9CI)
- 11-methyldodecyl carbonochloridate
- isotridecyl chloroformate
- EINECS 281-616-9
- DTXSID401004263
- 84000-61-3
-
- Inchi： 1S/C14H27ClO2/c1-13(2)11-9-7-5-3-4-6-8-10-12-17-14(15)16/h13H,3-12H2,1-2H3
- InChI Key： MLCHMHVHGWFCII-UHFFFAOYSA-N
- SMILES： ClC(=O)OCCCCCCCCCCC(C)C
Computed Properties
- Exact Mass: 262.17
- Monoisotopic Mass: 262.17
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 12
- Complexity: 181
- 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: 6.9
- Topological Polar Surface Area: 26.3A^2
Carbonochloridic acid,isotridecyl ester (9CI) Related Literature
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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