Cas no 5123-18-2 (4H-1,3,6,2-DIOXAZABOROCINE, TETRAHYDRO-2-(4-METHYLPHENYL)-)
5123-18-2 structure
Product Name:4H-1,3,6,2-DIOXAZABOROCINE, TETRAHYDRO-2-(4-METHYLPHENYL)-
CAS No:5123-18-2
MF:C11H16BNO2
MW:205.061243057251
CID:3315886
PubChem ID:12711345
Update Time:2025-04-21
4H-1,3,6,2-DIOXAZABOROCINE, TETRAHYDRO-2-(4-METHYLPHENYL)- Chemical and Physical Properties
Names and Identifiers
-
- 4H-1,3,6,2-DIOXAZABOROCINE, TETRAHYDRO-2-(4-METHYLPHENYL)-
- 2-(p-tolyl)-1,3,6,2-dioxazaborocane
- 5123-18-2
-
- Inchi： 1S/C11H16BNO2/c1-10-2-4-11(5-3-10)12-14-8-6-13-7-9-15-12/h2-5,13H,6-9H2,1H3
- InChI Key： SGOGHAKJFWKMDM-UHFFFAOYSA-N
- SMILES： O1B(C2C=CC(C)=CC=2)OCCNCC1
Computed Properties
- Exact Mass: 205.1274089Da
- Monoisotopic Mass: 205.1274089Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 175
- 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: 30.5?2
4H-1,3,6,2-DIOXAZABOROCINE, TETRAHYDRO-2-(4-METHYLPHENYL)- Related Literature
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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