Cas no 124481-00-1 (Benzoic acid, 2-iodo-3,5-dimethoxy-)
124481-00-1 structure
Product Name:Benzoic acid, 2-iodo-3,5-dimethoxy-
CAS No:124481-00-1
MF:C9H9IO4
MW:308.069835424423
CID:1220116
PubChem ID:11185902
Update Time:2025-04-20
Benzoic acid, 2-iodo-3,5-dimethoxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2-iodo-3,5-dimethoxy-
- 2-iodo-3,5-dimethoxybenzoic acid
- 124481-00-1
- DTXSID40458122
-
- Inchi： 1S/C9H9IO4/c1-13-5-3-6(9(11)12)8(10)7(4-5)14-2/h3-4H,1-2H3,(H,11,12)
- InChI Key： GLVLBYODNJXNFR-UHFFFAOYSA-N
- SMILES： IC1C(=CC(=CC=1C(=O)O)OC)OC
Computed Properties
- Exact Mass: 307.95456g/mol
- Monoisotopic Mass: 307.95456g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 209
- 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
- Topological Polar Surface Area: 55.8?2
Benzoic acid, 2-iodo-3,5-dimethoxy- Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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