Cas no 105578-58-3 (1,2-Benzenedicarboxylic acid, mono[(4-chlorophenyl)methyl] ester)
![1,2-Benzenedicarboxylic acid, mono[(4-chlorophenyl)methyl] ester structure](https://ossimg.kuujia.com/scimg/106000/105578-58-3x500.png)
105578-58-3 structure
Product Name:1,2-Benzenedicarboxylic acid, mono[(4-chlorophenyl)methyl] ester
CAS No:105578-58-3
MF:C15H10ClO4
MW:289.69050359726
CID:97459
PubChem ID:71333607
Update Time:2025-04-18
1,2-Benzenedicarboxylic acid, mono[(4-chlorophenyl)methyl] ester Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenedicarboxylic acid, mono[(4-chlorophenyl)methyl] ester
- 2-[(4-chlorophenyl)methoxycarbonyl]benzoate
- DTXSID30761834
- 105578-58-3
- 2-{[(4-Chlorophenyl)methoxy]carbonyl}benzoate
-
- Inchi： 1S/C15H11ClO4/c16-11-7-5-10(6-8-11)9-20-15(19)13-4-2-1-3-12(13)14(17)18/h1-8H,9H2,(H,17,18)/p-1
- InChI Key： QKMGLFUIWPLHTH-UHFFFAOYSA-M
- SMILES： ClC1C=CC(=CC=1)COC(C1C=CC=CC=1C(=O)[O-])=O
Computed Properties
- Exact Mass: 289.0268
- Monoisotopic Mass: 289.0267615g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 4
- Complexity: 344
- 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: 4.6
- Topological Polar Surface Area: 66.4?2
Experimental Properties
- PSA: 66.43
1,2-Benzenedicarboxylic acid, mono[(4-chlorophenyl)methyl] ester Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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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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