Cas no 72233-47-7 (1-Cycloheptene-1-carbonyl chloride (6CI,9CI))
72233-47-7 structure
Product Name:1-Cycloheptene-1-carbonyl chloride (6CI,9CI)
CAS No:72233-47-7
MF:C8H11ClO
MW:158.625341653824
CID:549288
PubChem ID:12497557
Update Time:2025-04-19
1-Cycloheptene-1-carbonyl chloride (6CI,9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1-Cycloheptene-1-carbonyl chloride (6CI,9CI)
- cycloheptene-1-carbonyl chloride
- 72233-47-7
- Cyclohept-1-ene-1-carbonyl chloride
- DTXSID50500444
-
- Inchi： 1S/C8H11ClO/c9-8(10)7-5-3-1-2-4-6-7/h5H,1-4,6H2
- InChI Key： HADFNTJXTJZYDS-UHFFFAOYSA-N
- SMILES： ClC(C1=CCCCCC1)=O
Computed Properties
- Exact Mass: 158.04993
- Monoisotopic Mass: 158.0498427g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 161
- 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: 3.2
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
1-Cycloheptene-1-carbonyl chloride (6CI,9CI) Related Literature
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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