Cas no 111636-03-4 (Benzene, 2-iodo-1-(methoxymethoxy)-4-methyl-)
111636-03-4 structure
Product Name:Benzene, 2-iodo-1-(methoxymethoxy)-4-methyl-
CAS No:111636-03-4
MF:C9H11IO2
MW:278.086915254593
CID:1203401
PubChem ID:14001198
Update Time:2025-04-20
Benzene, 2-iodo-1-(methoxymethoxy)-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 2-iodo-1-(methoxymethoxy)-4-methyl-
- SCHEMBL20355868
- DB-409727
- 2-iodo-1-(methoxymethoxy)-4-methylbenzene
- 111636-03-4
-
- Inchi： 1S/C9H11IO2/c1-7-3-4-9(8(10)5-7)12-6-11-2/h3-5H,6H2,1-2H3
- InChI Key： KQEKJVCFFUZXGG-UHFFFAOYSA-N
- SMILES： IC1C=C(C)C=CC=1OCOC
Computed Properties
- Exact Mass: 277.97993
- Monoisotopic Mass: 277.98038g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 130
- 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: 18.5?2
Experimental Properties
- PSA: 18.46
Benzene, 2-iodo-1-(methoxymethoxy)-4-methyl- Related Literature
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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