Cas no 54899-97-7 (3,3-dibromo-1-iodoheptan-2-one)
54899-97-7 structure
Product Name:3,3-dibromo-1-iodoheptan-2-one
CAS No:54899-97-7
MF:C7H11Br2IO
MW:397.874113321304
CID:1592232
PubChem ID:185779
Update Time:2025-04-21
3,3-dibromo-1-iodoheptan-2-one Chemical and Physical Properties
Names and Identifiers
-
- 3,3-dibromo-1-iodoheptan-2-one
- 3,3-Dibromo-1-iodo-2-heptanone
- DTXSID50203387
- 1-iodo-3,3-dibromo-2-heptanone
- Heptan-2-one, 3,3-dibromo-1-iodo-
- 3,3-dibromo-1-iodo-heptan-2-one
- 54899-97-7
- DB-314739
-
- Inchi： 1S/C7H11Br2IO/c1-2-3-4-7(8,9)6(11)5-10/h2-5H2,1H3
- InChI Key： JJBPIIXVRZGUKZ-UHFFFAOYSA-N
- SMILES： ICC(C(CCCC)(Br)Br)=O
Computed Properties
- Exact Mass: 395.82163
- Monoisotopic Mass: 395.82214g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 5
- 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
- XLogP3: 3.9
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
3,3-dibromo-1-iodoheptan-2-one Related Literature
-
Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
-
Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
-
José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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