Cas no 71463-49-5 (Benzoicacid, 2,6-dichloro-, 2,6-dichlorophenyl ester)
71463-49-5 structure
Product Name:Benzoicacid, 2,6-dichloro-, 2,6-dichlorophenyl ester
CAS No:71463-49-5
MF:C13H6Cl4O2
MW:335.997539997101
CID:580306
PubChem ID:2804799
Update Time:2025-04-19
Benzoicacid, 2,6-dichloro-, 2,6-dichlorophenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoicacid, 2,6-dichloro-, 2,6-dichlorophenyl ester
- 2,6-Dichlorophenyl 2,6-dichlorobenzoate
- (2,6-dichlorophenyl) 2,6-dichlorobenzoate
- DTXSID10991879
- NS00062319
- EINECS 275-487-8
- 71463-49-5
-
- Inchi： 1S/C13H6Cl4O2/c14-7-3-1-4-8(15)11(7)13(18)19-12-9(16)5-2-6-10(12)17/h1-6H
- InChI Key： HPJVLKRIWVAIPT-UHFFFAOYSA-N
- SMILES： ClC1C=CC=C(C=1C(=O)OC1C(=CC=CC=1Cl)Cl)Cl
Computed Properties
- Exact Mass: 333.91238
- Monoisotopic Mass: 333.912190g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 306
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 5.8
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Benzoicacid, 2,6-dichloro-, 2,6-dichlorophenyl ester Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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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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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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