Cas no 35227-77-1 (1,3-Benzenedicarbonyl dichloride, 5-methoxy-)
35227-77-1 structure
Product Name:1,3-Benzenedicarbonyl dichloride, 5-methoxy-
CAS No:35227-77-1
MF:C9H6Cl2O3
MW:233.048141002655
CID:1468658
PubChem ID:10889803
Update Time:2025-04-20
1,3-Benzenedicarbonyl dichloride, 5-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenedicarbonyl dichloride, 5-methoxy-
- 5-methoxybenzene-1,3-dicarbonyl chloride
- DTXSID00447299
- 35227-77-1
- SCHEMBL3361585
-
- Inchi： 1S/C9H6Cl2O3/c1-14-7-3-5(8(10)12)2-6(4-7)9(11)13/h2-4H,1H3
- InChI Key： CGXXBHCRXCEKCP-UHFFFAOYSA-N
- SMILES： ClC(C1C=C(C(=O)Cl)C=C(C=1)OC)=O
Computed Properties
- Exact Mass: 231.96948
- Monoisotopic Mass: 231.9693994g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 220
- 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: 43.4?2
Experimental Properties
- PSA: 43.37
1,3-Benzenedicarbonyl dichloride, 5-methoxy- Related Literature
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
-
Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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