Cas no 61830-10-2 (2,6-Pyridinedicarboxylic acid, 3,5-dibromo-, dimethyl ester)
61830-10-2 structure
Product Name:2,6-Pyridinedicarboxylic acid, 3,5-dibromo-, dimethyl ester
CAS No:61830-10-2
MF:C9H7Br2NO4
MW:352.964181184769
CID:465150
PubChem ID:12361204
Update Time:2025-04-19
2,6-Pyridinedicarboxylic acid, 3,5-dibromo-, dimethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2,6-Pyridinedicarboxylic acid, 3,5-dibromo-, dimethyl ester
- dimethyl 3,5-dibromopyridine-2,6-dicarboxylate
- DTXSID00494081
- 61830-10-2
-
- Inchi： 1S/C9H7Br2NO4/c1-15-8(13)6-4(10)3-5(11)7(12-6)9(14)16-2/h3H,1-2H3
- InChI Key： BHCZVAHCAYQZCV-UHFFFAOYSA-N
- SMILES： BrC1=CC(=C(C(=O)OC)N=C1C(=O)OC)Br
Computed Properties
- Exact Mass: 350.87411
- Monoisotopic Mass: 350.87418g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 261
- 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: 2.6
- Topological Polar Surface Area: 65.5?2
Experimental Properties
- PSA: 65.49
2,6-Pyridinedicarboxylic acid, 3,5-dibromo-, dimethyl ester Related Literature
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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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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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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