Cas no 654057-18-8 (2-Cyclohepten-1-one, 3-bromo-)
2-Cyclohepten-1-one, 3-bromo- structure
Product Name:2-Cyclohepten-1-one, 3-bromo-
CAS No:654057-18-8
MF:C7H9BrO
MW:189.049761533737
CID:1686176
PubChem ID:71375979
Update Time:2025-04-21
2-Cyclohepten-1-one, 3-bromo- Chemical and Physical Properties
Names and Identifiers
-
- 2-Cyclohepten-1-one, 3-bromo-
- 3-bromocyclohept-2-en-1-one
- DTXSID50798703
- 654057-18-8
-
- Inchi： 1S/C7H9BrO/c8-6-3-1-2-4-7(9)5-6/h5H,1-4H2
- InChI Key： HANVNAAPRPEMOH-UHFFFAOYSA-N
- SMILES： BrC1=CC(CCCC1)=O
Computed Properties
- Exact Mass: 187.98367
- Monoisotopic Mass: 187.98368g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 149
- 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: 1.7
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
2-Cyclohepten-1-one, 3-bromo- Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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