Cas no 72083-17-1 (Benzoic acid, 2,4-dichloro-, 4-chlorophenyl ester)
72083-17-1 structure
Product Name:Benzoic acid, 2,4-dichloro-, 4-chlorophenyl ester
CAS No:72083-17-1
MF:C13H7Cl3O2
MW:301.55248093605
CID:544535
PubChem ID:788589
Update Time:2025-04-19
Benzoic acid, 2,4-dichloro-, 4-chlorophenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2,4-dichloro-, 4-chlorophenyl ester
- (4-chlorophenyl) 2,4-dichlorobenzoate
- 4-chlorophenyl 2,4-dichlorobenzoate
- DTXSID30354987
- AKOS000494414
- 72083-17-1
-
- Inchi： 1S/C13H7Cl3O2/c14-8-1-4-10(5-2-8)18-13(17)11-6-3-9(15)7-12(11)16/h1-7H
- InChI Key： KJQMWRYFJFWFES-UHFFFAOYSA-N
- SMILES： ClC1C=C(C=CC=1C(=O)OC1C=CC(=CC=1)Cl)Cl
Computed Properties
- Exact Mass: 299.95131
- Monoisotopic Mass: 299.951163g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 290
- 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: 5.3
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Benzoic acid, 2,4-dichloro-, 4-chlorophenyl ester Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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