Cas no 39719-63-6 (Propanoicacid, 2-(4-chlorophenoxy)-2-methyl-, 3-(4-chlorophenoxy)-2-hydroxypropyl ester)
39719-63-6 structure
Product Name:Propanoicacid, 2-(4-chlorophenoxy)-2-methyl-, 3-(4-chlorophenoxy)-2-hydroxypropyl ester
CAS No:39719-63-6
MF:C19H20Cl2O5
MW:399.265104293823
CID:322853
PubChem ID:217839
Update Time:2025-04-19
Propanoicacid, 2-(4-chlorophenoxy)-2-methyl-, 3-(4-chlorophenoxy)-2-hydroxypropyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanoicacid, 2-(4-chlorophenoxy)-2-methyl-, 3-(4-chlorophenoxy)-2-hydroxypropyl ester
- DTXSID30960325
- 3-(4-chlorophenoxy)-2-hydroxypropyl 2-(4-chlorophenoxy)-2-methylpropanoate
- Propanoic acid, 2-(4-chlorophenoxy)-2-hydroxypropyl ester
- 2-(4-Chlorophenoxy)-2-hydroxypropyl propanoate
- BRN 3012780
- 39719-63-6
-
- Inchi： 1S/C19H20Cl2O5/c1-19(2,26-17-9-5-14(21)6-10-17)18(23)25-12-15(22)11-24-16-7-3-13(20)4-8-16/h3-10,15,22H,11-12H2,1-2H3
- InChI Key： ILCSJHCBOLBQJQ-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1)OC(C(=O)OCC(COC1C=CC(=CC=1)Cl)O)(C)C
Computed Properties
- Exact Mass: 398.0689
- Monoisotopic Mass: 398.0687791g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 26
- Rotatable Bond Count: 9
- Complexity: 430
- 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: 4.7
- Topological Polar Surface Area: 65?2
Experimental Properties
- PSA: 64.99
Propanoicacid, 2-(4-chlorophenoxy)-2-methyl-, 3-(4-chlorophenoxy)-2-hydroxypropyl ester Related Literature
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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