Cas no 1208314-98-0 (B-(5-chloro-3-methyl-2-pyridinyl)-Boronic acid)
1208314-98-0 structure
Product Name:B-(5-chloro-3-methyl-2-pyridinyl)-Boronic acid
CAS No:1208314-98-0
MF:C6H7BClNO2
MW:171.389280557632
CID:1101862
PubChem ID:129915580
Update Time:2025-04-20
B-(5-chloro-3-methyl-2-pyridinyl)-Boronic acid Chemical and Physical Properties
Names and Identifiers
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- B-(5-chloro-3-methyl-2-pyridinyl)-Boronic acid
- 1208314-98-0
- DB-415688
- B-(5-Chloro-3-methyl-2-pyridinyl)boronic acid
- (5-chloro-3-methylpyridin-2-yl)boronic acid
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- Inchi: 1S/C6H7BClNO2/c1-4-2-5(8)3-9-6(4)7(10)11/h2-3,10-11H,1H3
- InChI Key: MPXGJBXBDVPBIN-UHFFFAOYSA-N
- SMILES: ClC1=CN=C(B(O)O)C(C)=C1
Computed Properties
- Exact Mass: 171.0258363g/mol
- Monoisotopic Mass: 171.0258363g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 136
- 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: 53.4?2
B-(5-chloro-3-methyl-2-pyridinyl)-Boronic acid Related Literature
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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