Cas no 1713-14-0 (Propanoic acid,2-(4-chloro-2-methylphenoxy)-, butyl ester)
1713-14-0 structure
Product Name:Propanoic acid,2-(4-chloro-2-methylphenoxy)-, butyl ester
CAS No:1713-14-0
MF:C14H19ClO3
MW:270.751863718033
CID:180815
PubChem ID:15579
Update Time:2025-04-19
Propanoic acid,2-(4-chloro-2-methylphenoxy)-, butyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid,2-(4-chloro-2-methylphenoxy)-, butyl ester
- butyl 2-(4-chloro-2-methylphenoxy)propanoate
- butyl 2-(4-chloro-2-methylphenoxy)propionate
- butyl 2-(4-chlorophenoxy)-2-methylpropanoate
- 2-(4-Chloro-2-methylphenoxy)propionic acid butyl ester
- EINECS 216-990-4
- HUIKLQYJFNQHCJ-UHFFFAOYSA-N
- 1713-14-0
- Mecoprop, ethyl ester
- DTXSID20937965
-
- Inchi： 1S/C14H19ClO3/c1-4-5-10-17-13(16)14(2,3)18-12-8-6-11(15)7-9-12/h6-9H,4-5,10H2,1-3H3
- InChI Key： HUIKLQYJFNQHCJ-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1)OC(C(=O)OCCCC)(C)C
Computed Properties
- Exact Mass: 270.10237
- Monoisotopic Mass: 270.1022722g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 7
- Complexity: 258
- 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: 4.3
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
Propanoic acid,2-(4-chloro-2-methylphenoxy)-, butyl ester Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
-
Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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