Cas no 1261677-15-9 (Methyl (3-chloro-4-methylphenyl)acetate)
1261677-15-9 structure
Product Name:Methyl (3-chloro-4-methylphenyl)acetate
CAS No:1261677-15-9
MF:C10H11ClO2
MW:198.646142244339
CID:1219136
PubChem ID:59855489
Update Time:2025-04-20
Methyl (3-chloro-4-methylphenyl)acetate Chemical and Physical Properties
Names and Identifiers
-
- Methyl (3-chloro-4-methylphenyl)acetate
- methyl 2-(3-chloro-4-methylphenyl)acetate
- DA-13276
- SCHEMBL10229485
- 1261677-15-9
-
- Inchi： 1S/C10H11ClO2/c1-7-3-4-8(5-9(7)11)6-10(12)13-2/h3-5H,6H2,1-2H3
- InChI Key： HHBUBCLYJFOHNK-UHFFFAOYSA-N
- SMILES： ClC1C=C(C=CC=1C)CC(=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
- XLogP3: 2.7
- Topological Polar Surface Area: 26.3?2
Methyl (3-chloro-4-methylphenyl)acetate Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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