Cas no 905443-15-4 (Benzeneacetyl chloride, 2-chloro-α-methyl-)
905443-15-4 structure
Product Name:Benzeneacetyl chloride, 2-chloro-α-methyl-
CAS No:905443-15-4
MF:C9H8Cl2O
MW:203.065220832825
CID:749824
PubChem ID:117047627
Update Time:2024-03-01
Benzeneacetyl chloride, 2-chloro-α-methyl- Chemical and Physical Properties
Names and Identifiers
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- Benzeneacetyl chloride, 2-chloro-a-methyl-
- Benzeneacetyl chloride, 2-chloro-α-methyl-
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- Inchi： 1S/C9H8Cl2O/c1-6(9(11)12)7-4-2-3-5-8(7)10/h2-6H,1H3
- InChI Key： SBVKVUWVZYHXAI-UHFFFAOYSA-N
- SMILES： ClC1C=CC=CC=1C(C(=O)Cl)C
Computed Properties
- Exact Mass: 201.9952203g/mol
- Monoisotopic Mass: 201.9952203g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 170
- 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: 3.6
- Topological Polar Surface Area: 17.1?2
Benzeneacetyl chloride, 2-chloro-α-methyl- Related Literature
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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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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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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