Cas no 19545-93-8 (Acetic acid,2-(4-chloro-2,3-dimethylphenoxy)-)
19545-93-8 structure
Product Name:Acetic acid,2-(4-chloro-2,3-dimethylphenoxy)-
CAS No:19545-93-8
MF:C10H11ClO3
MW:214.645542383194
CID:228357
PubChem ID:350984
Update Time:2025-04-19
Acetic acid,2-(4-chloro-2,3-dimethylphenoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Acetic acid,2-(4-chloro-2,3-dimethylphenoxy)-
- 2-(4-chloro-2,3-dimethylphenoxy)acetic acid
- 19545-93-8
- NSC517419
- NSC-517419
- DTXSID80325763
-
- Inchi： 1S/C10H11ClO3/c1-6-7(2)9(4-3-8(6)11)14-5-10(12)13/h3-4H,5H2,1-2H3,(H,12,13)
- InChI Key： COCCOODGPDPUBV-UHFFFAOYSA-N
- SMILES： ClC1=CC=C(C(C)=C1C)OCC(=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: 351.6°Cat760mmHg
- Flash Point: 166.4°C
- Refractive Index: 1.547
- PSA: 46.53
Acetic acid,2-(4-chloro-2,3-dimethylphenoxy)- Related Literature
-
Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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