Cas no 1069114-83-5 (Methyl 2-(2-bromo-4-methylphenyl)acetate)
1069114-83-5 structure
Product Name:Methyl 2-(2-bromo-4-methylphenyl)acetate
CAS No:1069114-83-5
MF:C10H11BrO2
MW:243.097142457962
CID:2102694
Update Time:2023-08-03
Methyl 2-(2-bromo-4-methylphenyl)acetate Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetic acid, 2-bromo-4-methyl-, methyl
- methyl 2-(2-bromo-4-methylphenyl)acetate
- XFWDNOQWXXCPMF-UHFFFAOYSA-N
- Methyl 2-(2-bromo-4-methylphenyl)acetate
-
- Inchi： 1S/C10H11BrO2/c1-7-3-4-8(9(11)5-7)6-10(12)13-2/h3-5H,6H2,1-2H3
- InChI Key： XFWDNOQWXXCPMF-UHFFFAOYSA-N
- SMILES： BrC1C=C(C)C=CC=1CC(=O)OC
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 182
- Topological Polar Surface Area: 26.3
Methyl 2-(2-bromo-4-methylphenyl)acetate Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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