Cas no 62936-63-4 (1,3-Benzenedicarbonitrile, 2-hydroxy-5-iodo-)
62936-63-4 structure
Product Name:1,3-Benzenedicarbonitrile, 2-hydroxy-5-iodo-
CAS No:62936-63-4
MF:C8H3IN2O
MW:270.026693582535
CID:428570
PubChem ID:12325961
Update Time:2025-04-19
1,3-Benzenedicarbonitrile, 2-hydroxy-5-iodo- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenedicarbonitrile, 2-hydroxy-5-iodo-
- 2-hydroxy-5-iodobenzene-1,3-dicarbonitrile
- DTXSID30489566
- 2-Hydroxy-5-iodoisophthalonitrile
- 62936-63-4
-
- Inchi： 1S/C8H3IN2O/c9-7-1-5(3-10)8(12)6(2-7)4-11/h1-2,12H
- InChI Key： XJMXBYLAHGOPTL-UHFFFAOYSA-N
- SMILES： IC1C=C(C#N)C(=C(C#N)C=1)O
Computed Properties
- Exact Mass: 269.92859
- Monoisotopic Mass: 269.92901g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 235
- 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: 2.2
- Topological Polar Surface Area: 67.8?2
Experimental Properties
- PSA: 67.81
1,3-Benzenedicarbonitrile, 2-hydroxy-5-iodo- Related Literature
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
62936-63-4 (1,3-Benzenedicarbonitrile, 2-hydroxy-5-iodo-) Related Products
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