Cas no 1076192-08-9 (Methyl (2-chloro-6-methylphenyl)acetate)
1076192-08-9 structure
Product Name:Methyl (2-chloro-6-methylphenyl)acetate
CAS No:1076192-08-9
MF:C10H11ClO2
MW:198.646142244339
CID:2126363
PubChem ID:25114117
Update Time:2024-03-01
Methyl (2-chloro-6-methylphenyl)acetate Chemical and Physical Properties
Names and Identifiers
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- methyl (2-chloro-6-methylphenyl)acetate
- Methyl (2-chloro-6-methylphenyl)acetate
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- Inchi: 1S/C10H11ClO2/c1-7-4-3-5-9(11)8(7)6-10(12)13-2/h3-5H,6H2,1-2H3
- InChI Key: BANQHGUVFPHVIH-UHFFFAOYSA-N
- SMILES: ClC1=CC=CC(C)=C1CC(=O)OC
Computed Properties
- Exact Mass: 198.0447573g/mol
- Monoisotopic Mass: 198.0447573g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 182
- 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: 26.3
- XLogP3: 2.7
Methyl (2-chloro-6-methylphenyl)acetate Related Literature
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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