Cas no 94023-74-2 (Benzoic acid,3,5-dichloro-4-[2-[2-chloro-4-(methoxycarbonyl)phenoxy]ethoxy]-, methyl ester)
94023-74-2 structure
Product Name:Benzoic acid,3,5-dichloro-4-[2-[2-chloro-4-(methoxycarbonyl)phenoxy]ethoxy]-, methyl ester
CAS No:94023-74-2
MF:C18H15Cl3O6
MW:433.667103052139
CID:810489
PubChem ID:3023351
Update Time:2025-04-19
Benzoic acid,3,5-dichloro-4-[2-[2-chloro-4-(methoxycarbonyl)phenoxy]ethoxy]-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,3,5-dichloro-4-[2-[2-chloro-4-(methoxycarbonyl)phenoxy]ethoxy]-, methyl ester
- methyl 3,5-dichloro-4-[2-(2-chloro-4-methoxycarbonylphenoxy)ethoxy]benzoate
- methyl 3,5-dichloro-4-[2-[2-chloro-4-(methoxycarbonyl)phenoxy]ethoxy]benzoate
- Methyl 3,5-dichloro-4-(2-(2-chloro-4-(methoxycarbonyl)phenoxy)ethoxy)benzoate
- NS00039927
- Benzoic acid, 3,5-dichloro-4-[2-[2-chloro-4-(methoxycarbonyl)phenoxy]ethoxy]-, methyl ester
- 4PKD8BJE6C
- 94023-74-2
- EINECS 301-673-6
- DTXSID80240326
-
- Inchi: 1S/C18H15Cl3O6/c1-24-17(22)10-3-4-15(12(19)7-10)26-5-6-27-16-13(20)8-11(9-14(16)21)18(23)25-2/h3-4,7-9H,5-6H2,1-2H3
- InChI Key: ZYKQVJATDNUGMP-UHFFFAOYSA-N
- SMILES: ClC1C=C(C(=O)OC)C=C(C=1OCCOC1C=CC(C(=O)OC)=CC=1Cl)Cl
Computed Properties
- Exact Mass: 431.993
- Monoisotopic Mass: 431.993
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 27
- Rotatable Bond Count: 9
- Complexity: 494
- 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: 5.1
- Topological Polar Surface Area: 71.1?2
Experimental Properties
- Density: 1.399
- Boiling Point: 549.6°Cat760mmHg
- Flash Point: 201°C
- Refractive Index: 1.572
Benzoic acid,3,5-dichloro-4-[2-[2-chloro-4-(methoxycarbonyl)phenoxy]ethoxy]-, methyl ester Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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