Cas no 70738-04-4 (Benzaldehyde, 2-iodo-3,6-dimethoxy-)
70738-04-4 structure
Product Name:Benzaldehyde, 2-iodo-3,6-dimethoxy-
CAS No:70738-04-4
MF:C9H9IO3
MW:292.070435285568
CID:1745848
PubChem ID:12490491
Update Time:2025-04-21
Benzaldehyde, 2-iodo-3,6-dimethoxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzaldehyde, 2-iodo-3,6-dimethoxy-
- 70738-04-4
- DTXSID001301102
- 2-iodo-3,6-dimethoxybenzaldehyde
-
- Inchi： 1S/C9H9IO3/c1-12-7-3-4-8(13-2)9(10)6(7)5-11/h3-5H,1-2H3
- InChI Key： KRBWVAKAKWYQAX-UHFFFAOYSA-N
- SMILES： IC1=C(C=CC(=C1C=O)OC)OC
Computed Properties
- Exact Mass: 291.95917
- Monoisotopic Mass: 291.95964g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 174
- 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: 35.5?2
Experimental Properties
- PSA: 35.53
Benzaldehyde, 2-iodo-3,6-dimethoxy- Related Literature
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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