Cas no 1577-30-6 (1,3-Dibrom-2-heptanon)
1,3-Dibrom-2-heptanon structure
Product Name:1,3-Dibrom-2-heptanon
CAS No:1577-30-6
MF:C7H12Br2O
MW:271.97758102417
CID:2006858
PubChem ID:21774995
Update Time:2025-04-21
1,3-Dibrom-2-heptanon Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dibrom-2-heptanon
- 1,3-Dibrom-heptan-2-on
- 1,3-dibromo-2-heptanone
- 1,3-Dibromo-2-heptanone,9CI
- 1,3-dibromo-heptan-2-one
- 1,3-dibromoheptan-2-one
- DTXSID20617912
- 1577-30-6
- SCHEMBL12646233
- DTXCID10568666
-
- Inchi： 1S/C7H12Br2O/c1-2-3-4-6(9)7(10)5-8/h6H,2-5H2,1H3
- InChI Key： YETSHVBKKHGEKV-UHFFFAOYSA-N
- SMILES： BrC(C(CBr)=O)CCCC
Computed Properties
- Exact Mass: 271.92344g/mol
- Monoisotopic Mass: 269.92549g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 5
- Complexity: 104
- 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: 3.4
- Topological Polar Surface Area: 17.1?2
1,3-Dibrom-2-heptanon Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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