Cas no 94023-73-1 (Benzoic acid,4-[2-(4-carboxy-2-chlorophenoxy)ethoxy]-3,5-dichloro-)
![Benzoic acid,4-[2-(4-carboxy-2-chlorophenoxy)ethoxy]-3,5-dichloro- structure](https://ossimg.kuujia.com/scimg/94500/94023-73-1x500.png)
94023-73-1 structure
Product Name:Benzoic acid,4-[2-(4-carboxy-2-chlorophenoxy)ethoxy]-3,5-dichloro-
CAS No:94023-73-1
MF:C16H11Cl3O6
MW:405.61394238472
CID:805160
PubChem ID:3023350
Update Time:2025-04-19
Benzoic acid,4-[2-(4-carboxy-2-chlorophenoxy)ethoxy]-3,5-dichloro- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,4-[2-(4-carboxy-2-chlorophenoxy)ethoxy]-3,5-dichloro-
- 4-[2-(4-carboxy-2-chlorophenoxy)ethoxy]-3,5-dichlorobenzoic acid
- SCHEMBL9622885
- DTXSID20240325
- RD9L9B3C2Z
- Benzoic acid, 4-[2-(4-carboxy-2-chlorophenoxy)ethoxy]-3,5-dichloro-
- 94023-73-1
- NS00039926
- EINECS 301-672-0
- 4-(2-(4-Carboxy-2-chlorophenoxy)ethoxy)-3,5-dichlorobenzoic acid
-
- Inchi： 1S/C16H11Cl3O6/c17-10-5-8(15(20)21)1-2-13(10)24-3-4-25-14-11(18)6-9(16(22)23)7-12(14)19/h1-2,5-7H,3-4H2,(H,20,21)(H,22,23)
- InChI Key： AUXZGERXVFLLTE-UHFFFAOYSA-N
- SMILES： ClC1C=C(C(=O)O)C=C(C=1OCCOC1C=CC(C(=O)O)=CC=1Cl)Cl
Computed Properties
- Exact Mass: 403.962
- Monoisotopic Mass: 403.962
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 25
- Rotatable Bond Count: 7
- Complexity: 465
- 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: 4.5
- Topological Polar Surface Area: 93.1?2
Experimental Properties
- Density: 1.564
- Boiling Point: 595.3°Cat760mmHg
- Flash Point: 313.8°C
- Refractive Index: 1.631
Benzoic acid,4-[2-(4-carboxy-2-chlorophenoxy)ethoxy]-3,5-dichloro- Related Literature
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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