Cas no 5493-08-3 (4H-1,3,6,2-DIOXAZABOROCINE, 2-(4-BROMOPHENYL)TETRAHYDRO-)
5493-08-3 structure
Product Name:4H-1,3,6,2-DIOXAZABOROCINE, 2-(4-BROMOPHENYL)TETRAHYDRO-
CAS No:5493-08-3
MF:C10H13BBrNO2
MW:269.930721998215
CID:3315883
PubChem ID:12711343
Update Time:2025-04-21
4H-1,3,6,2-DIOXAZABOROCINE, 2-(4-BROMOPHENYL)TETRAHYDRO- Chemical and Physical Properties
Names and Identifiers
-
- 4H-1,3,6,2-DIOXAZABOROCINE, 2-(4-BROMOPHENYL)TETRAHYDRO-
- 5493-08-3
- 2-(4-Bromophenyl)-1,3,6,2-dioxazaborocane
-
- Inchi： 1S/C10H13BBrNO2/c12-10-3-1-9(2-4-10)11-14-7-5-13-6-8-15-11/h1-4,13H,5-8H2
- InChI Key： MVENYNBZTHFRJD-UHFFFAOYSA-N
- SMILES： BrC1C=CC(B2OCCNCCO2)=CC=1
Computed Properties
- Exact Mass: 269.02227Da
- Monoisotopic Mass: 269.02227Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 180
- 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, 2-(4-BROMOPHENYL)TETRAHYDRO- Related Literature
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Jadwiga Frelek,Marcin Górecki,Marta ?aszcz,Agata Suszczyńska,Elemér Vass,Wojciech J. Szczepek Chem. Commun., 2012,48, 5295-5297
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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C. Achilli,G. F. Guidetti,A. Ciana,D. Capsoni,G. Minetti Biomater. Sci., 2016,4, 1417-1421
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Riccardo Spezia,Stefan Knecht,Benedetta Mennucci Phys. Chem. Chem. Phys., 2017,19, 17156-17166
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