Cas no 2739830-29-4 ((3-Cyano-1-methyl-1H-pyrazol-5-yl)boronic acid)
2739830-29-4 structure
Product Name:(3-Cyano-1-methyl-1H-pyrazol-5-yl)boronic acid
CAS No:2739830-29-4
MF:C5H6BN3O2
MW:150.931040287018
CID:6626202
PubChem ID:163321018
Update Time:2024-11-07
(3-Cyano-1-methyl-1H-pyrazol-5-yl)boronic acid Chemical and Physical Properties
Names and Identifiers
-
- (3-Cyano-1-methyl-1H-pyrazol-5-yl)boronic acid
- 2739830-29-4
- CS-0373613
- B-(3-Cyano-1-methyl-1H-pyrazol-5-yl)boronic acid
- G71002
- DB-384533
- 5-cyano-2-methylpyrazol-3-ylboronic acid
-
- Inchi： 1S/C5H6BN3O2/c1-9-5(6(10)11)2-4(3-7)8-9/h2,10-11H,1H3
- InChI Key： RCGOPOQLDZZELV-UHFFFAOYSA-N
- SMILES： OB(C1=CC(C#N)=NN1C)O
Computed Properties
- Exact Mass: 151.0553066g/mol
- Monoisotopic Mass: 151.0553066g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 189
- 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: 82.1?2
Experimental Properties
- Density: 1.30±0.1 g/cm3(Predicted)
- Boiling Point: 405.1±55.0 °C(Predicted)
- pka: 6.59±0.58(Predicted)
(3-Cyano-1-methyl-1H-pyrazol-5-yl)boronic acid Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
2739830-29-4 ((3-Cyano-1-methyl-1H-pyrazol-5-yl)boronic acid) Related Products
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