Cas no 2816-63-9 ( )
structure
Product Name:
CAS No:2816-63-9
MF:C9H15BrO
MW:219.118802309036
CID:915020
PubChem ID:344636
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 2-bromo-2,6,6-trimethylcyclohexan-1-one
- 2-Brom-2,2,6-trimethyl-cyclohexanon
- 2-Brom-2,6,6-trimethyl-cyclohexanon
- 2-bromo-2,6,6-trimethyl-cyclohexan-1-one
- 2-bromo-2,6,6-trimethylcyclohexanone
- 2-bromo-2,6,6-trimethyl-cyclohexanone
- 6-Brom-2,2,6-trimethyl-cyclohexanon
- AC1L810B
- CTK1A6865
- NSC401663
- NSC-401663
- 2816-63-9
- NSC 401663
- DTXSID40322612
-
-
- Inchi： 1S/C9H15BrO/c1-8(2)5-4-6-9(3,10)7(8)11/h4-6H2,1-3H3
- InChI Key： UWVKZLISRFUBMD-UHFFFAOYSA-N
- SMILES： BrC1(C)C(C(C)(C)CCC1)=O
Computed Properties
- Exact Mass: 218.03065
- Monoisotopic Mass: 218.03063g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 186
- 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: 2.8
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
Related Literature
-
Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
-
Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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