Cas no 828922-45-8 (1,2,4,5-Benzenetetracarboxylic acid, 3-bromo-, tetramethyl ester)
828922-45-8 structure
Product Name:1,2,4,5-Benzenetetracarboxylic acid, 3-bromo-, tetramethyl ester
CAS No:828922-45-8
MF:C14H13BrO8
MW:389.152224302292
CID:680761
PubChem ID:71416775
Update Time:2025-04-19
1,2,4,5-Benzenetetracarboxylic acid, 3-bromo-, tetramethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1,2,4,5-Benzenetetracarboxylic acid, 3-bromo-, tetramethyl ester
- tetramethyl 3-bromobenzene-1,2,4,5-tetracarboxylate
- 828922-45-8
- DTXSID30836137
-
- Inchi： 1S/C14H13BrO8/c1-20-11(16)6-5-7(12(17)21-2)9(14(19)23-4)10(15)8(6)13(18)22-3/h5H,1-4H3
- InChI Key： GTAXCSFXJUEBPN-UHFFFAOYSA-N
- SMILES： BrC1=C(C(=O)OC)C(C(=O)OC)=CC(C(=O)OC)=C1C(=O)OC
Computed Properties
- Exact Mass: 387.97938g/mol
- Monoisotopic Mass: 387.97938g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 23
- Rotatable Bond Count: 8
- Complexity: 449
- 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: 105?2
1,2,4,5-Benzenetetracarboxylic acid, 3-bromo-, tetramethyl ester Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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