Cas no 108321-66-0 (Ethanone,2-chloro-1-phenyl-, labeled with carbon-14 (9CI))
108321-66-0 structure
Product Name:Ethanone,2-chloro-1-phenyl-, labeled with carbon-14 (9CI)
CAS No:108321-66-0
MF:C8H7ClO
MW:154.593581438065
CID:127942
Update Time:2024-01-24
Ethanone,2-chloro-1-phenyl-, labeled with carbon-14 (9CI) Chemical and Physical Properties
Names and Identifiers
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- Ethanone,2-chloro-1-phenyl-, labeled with carbon-14 (9CI)
- Ethanone, 2-chloro-1-phenyl-, labeled with carbon-14 (9CI)
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- Inchi： 1S/C8H7ClO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2
- InChI Key： IMACFCSSMIZSPP-UHFFFAOYSA-N
- SMILES： C(=O)(C1=CC=CC=C1)CCl
Computed Properties
- Exact Mass: 154.01861
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 116
- 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
- Surface Charge: 0
- Tautomer Count: 2
- XLogP3: nothing
Experimental Properties
- PSA: 17.07
Ethanone,2-chloro-1-phenyl-, labeled with carbon-14 (9CI) Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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