Cas no 36914-80-4 (phenol,2,4-diiodo-,acetate)
phenol,2,4-diiodo-,acetate structure
Product Name:phenol,2,4-diiodo-,acetate
CAS No:36914-80-4
MF:C8H6I2O2
MW:387.940987110138
CID:921761
PubChem ID:142116
Update Time:2025-04-19
phenol,2,4-diiodo-,acetate Chemical and Physical Properties
Names and Identifiers
-
- phenol,2,4-diiodo-,acetate
- (2,4-diiodophenyl) acetate
- Phenol, 2,4-diiodo-, acetate
- SCHEMBL196363
- 36914-80-4
- Acetic acid 2,4-diiodo-phenyl ester
- DTXSID50190400
-
- Inchi： 1S/C8H6I2O2/c1-5(11)12-8-3-2-6(9)4-7(8)10/h2-4H,1H3
- InChI Key： KVMGMCWDIJHCJO-UHFFFAOYSA-N
- SMILES： IC1C=C(C=CC=1OC(C)=O)I
Computed Properties
- Exact Mass: 387.84478
- Monoisotopic Mass: 387.84572g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 172
- 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: 3.2
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
phenol,2,4-diiodo-,acetate Related Literature
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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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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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