Cas no 28165-73-3 (Phenol, 2,6-diiodo-, 1-acetate)
28165-73-3 structure
Product Name:Phenol, 2,6-diiodo-, 1-acetate
CAS No:28165-73-3
MF:C8H6I2O2
MW:387.940987110138
CID:282449
PubChem ID:141402
Update Time:2025-04-19
Phenol, 2,6-diiodo-, 1-acetate Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 2,6-diiodo-, 1-acetate
- Phenol, 2,6-diiodo-, acetate
- (2,6-diiodophenyl) acetate
- DTXSID20182433
- SCHEMBL19047101
- 28165-73-3
-
- Inchi： 1S/C8H6I2O2/c1-5(11)12-8-6(9)3-2-4-7(8)10/h2-4H,1H3
- InChI Key： JCSYMLVRRUYACV-UHFFFAOYSA-N
- SMILES： IC1C=CC=C(C=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: 162
- 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: 2.9
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Phenol, 2,6-diiodo-, 1-acetate Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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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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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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