Cas no 67496-00-8 (2-(3-Bromopropoxy)oxirane)
2-(3-Bromopropoxy)oxirane structure
Product Name:2-(3-Bromopropoxy)oxirane
CAS No:67496-00-8
MF:C5H9BrO2
MW:181.027761220932
CID:2797664
PubChem ID:71368184
Update Time:2025-04-21
2-(3-Bromopropoxy)oxirane Chemical and Physical Properties
Names and Identifiers
-
- DTXSID50791259
- 67496-00-8
- 2-(3-BROMOPROPOXY)OXIRANE
- 2-(3-Bromopropoxy)oxirane
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- Inchi： 1S/C5H9BrO2/c6-2-1-3-7-5-4-8-5/h5H,1-4H2
- InChI Key： BHCLPSIXCKHTIO-UHFFFAOYSA-N
- SMILES： BrCCCOC1CO1
Computed Properties
- Exact Mass: 179.97859Da
- Monoisotopic Mass: 179.97859Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 4
- Complexity: 67.4
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1
- Topological Polar Surface Area: 21.8?2
2-(3-Bromopropoxy)oxirane Related Literature
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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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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