Cas no 1585-23-5 (Acetic acid,2-(2-chloro-4,5-dimethylphenoxy)-)
1585-23-5 structure
Product Name:Acetic acid,2-(2-chloro-4,5-dimethylphenoxy)-
CAS No:1585-23-5
MF:C10H11ClO3
MW:214.645542383194
CID:204811
PubChem ID:351741
Update Time:2025-04-19
Acetic acid,2-(2-chloro-4,5-dimethylphenoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Acetic acid,2-(2-chloro-4,5-dimethylphenoxy)-
- 2-(2-chloro-4,5-dimethylphenoxy)acetic acid
- NSC522960
- DTXSID80326038
- SCHEMBL18780641
- (2-chloro-4,5-dimethylphenoxy)acetic acid
- NSC-522960
- 2-(2-chloro-4,5-dimethylphenoxy)aceticacid
- 1585-23-5
- AKOS024085443
-
- Inchi： 1S/C10H11ClO3/c1-6-3-8(11)9(4-7(6)2)14-5-10(12)13/h3-4H,5H2,1-2H3,(H,12,13)
- InChI Key： IUBQIUUNTVPLEG-UHFFFAOYSA-N
- SMILES： ClC1=CC(C)=C(C)C=C1OCC(=O)O
Computed Properties
- Exact Mass: 214.03973
- Monoisotopic Mass: 214.04
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 208
- 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: 2.8
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- Density: 1.269
- Boiling Point: 359.3°Cat760mmHg
- Flash Point: 171.1°C
- Refractive Index: 1.547
- PSA: 46.53
Acetic acid,2-(2-chloro-4,5-dimethylphenoxy)- Related Literature
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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
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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