Cas no 2291165-22-3 (5-Borono-2-methylnicotinic acid)
2291165-22-3 structure
Product Name:5-Borono-2-methylnicotinic acid
CAS No:2291165-22-3
MF:C7H8BNO4
MW:180.953722000122
CID:5743944
PubChem ID:68654031
Update Time:2023-11-11
5-Borono-2-methylnicotinic acid Chemical and Physical Properties
Names and Identifiers
-
- 5-borono-2-methylnicotinicacid
- SCHEMBL3467361
- 2291165-22-3
- 5-borono-2-methylnicotinic acid
- 5-Borono-2-methylnicotinic acid
-
- Inchi： 1S/C7H8BNO4/c1-4-6(7(10)11)2-5(3-9-4)8(12)13/h2-3,12-13H,1H3,(H,10,11)
- InChI Key： RSUFQKYXRGOQRK-UHFFFAOYSA-N
- SMILES： OC(C1=CC(B(O)O)=CN=C1C)=O
Computed Properties
- Exact Mass: 181.0546379g/mol
- Monoisotopic Mass: 181.0546379g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 199
- 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
- Topological Polar Surface Area: 90.6?2
Experimental Properties
- Density: 1.42±0.1 g/cm3(Predicted)
- Boiling Point: 447.0±55.0 °C(Predicted)
- pka: 1.96±0.25(Predicted)
5-Borono-2-methylnicotinic acid Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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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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