Cas no 88927-98-4 (Benzoic acid, 4-[(4-butoxybenzoyl)oxy]-3-chloro-, 4-chlorophenyl ester)
![Benzoic acid, 4-[(4-butoxybenzoyl)oxy]-3-chloro-, 4-chlorophenyl ester structure](https://ossimg.kuujia.com/scimg/89000/88927-98-4x500.png)
88927-98-4 structure
Product Name:Benzoic acid, 4-[(4-butoxybenzoyl)oxy]-3-chloro-, 4-chlorophenyl ester
CAS No:88927-98-4
MF:C24H20Cl2O5
MW:459.318605422974
CID:619553
PubChem ID:71320684
Update Time:2025-04-19
Benzoic acid, 4-[(4-butoxybenzoyl)oxy]-3-chloro-, 4-chlorophenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-[(4-butoxybenzoyl)oxy]-3-chloro-, 4-chlorophenyl ester
- (4-chlorophenyl) 4-(4-butoxybenzoyl)oxy-3-chlorobenzoate
- 88927-98-4
- 4-Chlorophenyl 4-[(4-butoxybenzoyl)oxy]-3-chlorobenzoate
- DTXSID80750576
-
- Inchi： 1S/C24H20Cl2O5/c1-2-3-14-29-19-9-4-16(5-10-19)23(27)31-22-13-6-17(15-21(22)26)24(28)30-20-11-7-18(25)8-12-20/h4-13,15H,2-3,14H2,1H3
- InChI Key： ZYKZYPWCLJSBFB-UHFFFAOYSA-N
- SMILES： ClC1C=C(C(=O)OC2C=CC(=CC=2)Cl)C=CC=1OC(C1C=CC(=CC=1)OCCCC)=O
Computed Properties
- Exact Mass: 458.0687791g/mol
- Monoisotopic Mass: 458.0687791g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 31
- Rotatable Bond Count: 10
- Complexity: 570
- 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: 7.2
- Topological Polar Surface Area: 61.8?2
Benzoic acid, 4-[(4-butoxybenzoyl)oxy]-3-chloro-, 4-chlorophenyl ester Related Literature
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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