Cas no 94023-72-0 (Benzoic acid,4-[2-(4-carboxyphenoxy)ethoxy]-3-chloro-)
![Benzoic acid,4-[2-(4-carboxyphenoxy)ethoxy]-3-chloro- structure](https://ossimg.kuujia.com/scimg/94500/94023-72-0x500.png)
94023-72-0 structure
Product Name:Benzoic acid,4-[2-(4-carboxyphenoxy)ethoxy]-3-chloro-
CAS No:94023-72-0
MF:C16H13ClO6
MW:336.723824262619
CID:808181
PubChem ID:3023349
Update Time:2025-04-19
Benzoic acid,4-[2-(4-carboxyphenoxy)ethoxy]-3-chloro- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,4-[2-(4-carboxyphenoxy)ethoxy]-3-chloro-
- 4-[2-(4-carboxyphenoxy)ethoxy]-3-chlorobenzoic acid
- SCHEMBL9623589
- 4-(2-(4-Carboxyphenoxy)ethoxy)-3-chlorobenzoic acid
- EINECS 301-671-5
- NS00039925
- 94023-72-0
- DTXSID60240324
-
- Inchi： 1S/C16H13ClO6/c17-13-9-11(16(20)21)3-6-14(13)23-8-7-22-12-4-1-10(2-5-12)15(18)19/h1-6,9H,7-8H2,(H,18,19)(H,20,21)
- InChI Key： ZOTIAGGMDTXJIW-UHFFFAOYSA-N
- SMILES： ClC1C=C(C(=O)O)C=CC=1OCCOC1C=CC(C(=O)O)=CC=1
Computed Properties
- Exact Mass: 336.04
- Monoisotopic Mass: 336.04
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 23
- Rotatable Bond Count: 7
- Complexity: 407
- 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: 3.2
- Topological Polar Surface Area: 93.1?2
Experimental Properties
- Density: 1.43
- Boiling Point: 563.2°Cat760mmHg
- Flash Point: 294.4°C
- Refractive Index: 1.619
Benzoic acid,4-[2-(4-carboxyphenoxy)ethoxy]-3-chloro- Related Literature
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
-
David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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