Cas no 101253-51-4 (2,4,6-Cycloheptatrien-1-one,2-chloro-3-methyl-)
101253-51-4 structure
Product Name:2,4,6-Cycloheptatrien-1-one,2-chloro-3-methyl-
CAS No:101253-51-4
MF:C8H7ClO
MW:154.593581438065
CID:124566
PubChem ID:45119025
Update Time:2025-04-18
2,4,6-Cycloheptatrien-1-one,2-chloro-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2,4,6-Cycloheptatrien-1-one,2-chloro-3-methyl-
- 2,4,6-Cycloheptatrien-1-one, 2-chloro-3-methyl-
- DTXSID901243181
- 2,4,6-Cycloheptatrien-1-one, 2-chloro-3-methyl-
- 101253-51-4
-
- Inchi： 1S/C8H7ClO/c1-6-4-2-3-5-7(10)8(6)9/h2-5H,1H3
- InChI Key： JSDSKGMGLYAHMK-UHFFFAOYSA-N
- SMILES： ClC1C(C=CC=CC=1C)=O
Computed Properties
- Exact Mass: 154.01861
- Monoisotopic Mass: 154.019
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 246
- 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
- Topological Polar Surface Area: 17.1A^2
- XLogP3: 2.3
Experimental Properties
- PSA: 17.07
2,4,6-Cycloheptatrien-1-one,2-chloro-3-methyl- Related Literature
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Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
-
Ying Li,Weirong Yao,Yunfei Xie,Renjun Pei RSC Adv., 2015,5, 98724-98729
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Camelia Henríquez,Edwin Palacio,Víctor Cerdà Anal. Methods, 2014,6, 8494-8504
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
101253-51-4 (2,4,6-Cycloheptatrien-1-one,2-chloro-3-methyl-) Related Products
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