Cas no 105578-62-9 (1,2-Benzenedicarboxylic acid, mono[(3,4-dichlorophenyl)methyl] ester)
![1,2-Benzenedicarboxylic acid, mono[(3,4-dichlorophenyl)methyl] ester structure](https://ossimg.kuujia.com/scimg/106000/105578-62-9x500.png)
105578-62-9 structure
Product Name:1,2-Benzenedicarboxylic acid, mono[(3,4-dichlorophenyl)methyl] ester
CAS No:105578-62-9
MF:C15H9Cl2O4
MW:324.13556265831
CID:97458
PubChem ID:71333609
Update Time:2025-04-18
1,2-Benzenedicarboxylic acid, mono[(3,4-dichlorophenyl)methyl] ester Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenedicarboxylic acid, mono[(3,4-dichlorophenyl)methyl] ester
- 2-[(3,4-dichlorophenyl)methoxycarbonyl]benzoate
- 105578-62-9
- 2-{[(3,4-Dichlorophenyl)methoxy]carbonyl}benzoate
- DTXSID50761836
-
- Inchi： 1S/C15H10Cl2O4/c16-12-6-5-9(7-13(12)17)8-21-15(20)11-4-2-1-3-10(11)14(18)19/h1-7H,8H2,(H,18,19)/p-1
- InChI Key： NFROJUJTUBEEQU-UHFFFAOYSA-M
- SMILES： ClC1=C(C=CC(=C1)COC(C1C=CC=CC=1C(=O)[O-])=O)Cl
Computed Properties
- Exact Mass: 322.98787
- Monoisotopic Mass: 322.9877892g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 4
- Complexity: 382
- 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: 4.7
- Topological Polar Surface Area: 66.4?2
Experimental Properties
- PSA: 66.43
1,2-Benzenedicarboxylic acid, mono[(3,4-dichlorophenyl)methyl] ester Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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