Cas no 825650-06-4 (1,4-Benzenedicarboxylic acid, 2-(2-bromophenoxy)-, dimethyl ester)
825650-06-4 structure
Product Name:1,4-Benzenedicarboxylic acid, 2-(2-bromophenoxy)-, dimethyl ester
CAS No:825650-06-4
MF:C16H13BrO5
MW:365.175424337387
CID:687652
PubChem ID:57839250
Update Time:2025-04-19
1,4-Benzenedicarboxylic acid, 2-(2-bromophenoxy)-, dimethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Benzenedicarboxylic acid, 2-(2-bromophenoxy)-, dimethyl ester
- dimethyl 2-(2-bromophenoxy)benzene-1,4-dicarboxylate
- SCHEMBL490654
- 825650-06-4
- DTXSID40728099
- 2-(2-Bromo-phenoxy)-terephthalic acid dimethyl ester
- XURFQLOMVOWLKL-UHFFFAOYSA-N
-
- Inchi： 1S/C16H13BrO5/c1-20-15(18)10-7-8-11(16(19)21-2)14(9-10)22-13-6-4-3-5-12(13)17/h3-9H,1-2H3
- InChI Key： XURFQLOMVOWLKL-UHFFFAOYSA-N
- SMILES： BrC1C=CC=CC=1OC1C=C(C(=O)OC)C=CC=1C(=O)OC
Computed Properties
- Exact Mass: 363.99464g/mol
- Monoisotopic Mass: 363.99464g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 22
- Rotatable Bond Count: 6
- Complexity: 400
- 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: 3.8
- Topological Polar Surface Area: 61.8?2
1,4-Benzenedicarboxylic acid, 2-(2-bromophenoxy)-, dimethyl ester Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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