Cas no 62678-99-3 (Isoxazole, 3,3'-methylenebis[5-(bromomethyl)-)
62678-99-3 structure
Product Name:Isoxazole, 3,3'-methylenebis[5-(bromomethyl)-
CAS No:62678-99-3
MF:C9H8Br2N2O2
MW:335.980020523071
CID:435524
PubChem ID:12331703
Update Time:2025-04-19
Isoxazole, 3,3'-methylenebis[5-(bromomethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 5-(bromomethyl)-3-[[5-(bromomethyl)-1,2-oxazol-3-yl]methyl]-1,2-oxazole
- DTXSID60490640
- 62678-99-3
- 3,3'-Methylenebis[5-(bromomethyl)-1,2-oxazole]
- Isoxazole, 3,3'-methylenebis[5-(bromomethyl)-
-
- Inchi： 1S/C9H8Br2N2O2/c10-4-8-2-6(12-14-8)1-7-3-9(5-11)15-13-7/h2-3H,1,4-5H2
- InChI Key： IHQPZIXEPQUENB-UHFFFAOYSA-N
- SMILES： BrCC1=CC(CC2C=C(CBr)ON=2)=NO1
Computed Properties
- Exact Mass: 333.89524
- Monoisotopic Mass: 333.89525g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- 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
- XLogP3: 2
- Topological Polar Surface Area: 52.1?2
Experimental Properties
- PSA: 52.06
Isoxazole, 3,3'-methylenebis[5-(bromomethyl)- Related Literature
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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