Cas no 368884-46-2 (1,2-Benzenedicarboxylic acid, 4-bromo-, bis(2,2-dimethylpropyl) ester)
368884-46-2 structure
Product Name:1,2-Benzenedicarboxylic acid, 4-bromo-, bis(2,2-dimethylpropyl) ester
CAS No:368884-46-2
MF:C18H25BrO4
MW:385.29270529747
CID:1480110
PubChem ID:21880052
Update Time:2025-04-21
1,2-Benzenedicarboxylic acid, 4-bromo-, bis(2,2-dimethylpropyl) ester Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenedicarboxylic acid, 4-bromo-, bis(2,2-dimethylpropyl) ester
- bis(2,2-dimethylpropyl) 4-bromobenzene-1,2-dicarboxylate
- SCHEMBL234756
- 368884-46-2
- DTXSID50619303
-
- Inchi： 1S/C18H25BrO4/c1-17(2,3)10-22-15(20)13-8-7-12(19)9-14(13)16(21)23-11-18(4,5)6/h7-9H,10-11H2,1-6H3
- InChI Key： ACNYEUPHRVSVSL-UHFFFAOYSA-N
- SMILES： BrC1C=CC(C(=O)OCC(C)(C)C)=C(C=1)C(=O)OCC(C)(C)C
Computed Properties
- Exact Mass: 384.09365
- Monoisotopic Mass: 384.09362g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 23
- Rotatable Bond Count: 8
- Complexity: 420
- 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: 5.8
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
1,2-Benzenedicarboxylic acid, 4-bromo-, bis(2,2-dimethylpropyl) ester Related Literature
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1. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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