Cas no 220286-07-7 (Ethyl 3-(bromomethyl)-5-methylbenzoate)
220286-07-7 structure
Product Name:Ethyl 3-(bromomethyl)-5-methylbenzoate
CAS No:220286-07-7
MF:C11H13BrO2
MW:257.123722791672
CID:2108845
Update Time:2023-08-04
Ethyl 3-(bromomethyl)-5-methylbenzoate Chemical and Physical Properties
Names and Identifiers
-
- ethyl 3-(bromomethyl)-5-methylbenzoate
- BNRXBWYQSYYXGD-UHFFFAOYSA-N
- 3-Bromomethyl-5-methylbenzoic acid, ethyl ester
- Ethyl 3-(bromomethyl)-5-methylbenzoate
-
- Inchi： 1S/C11H13BrO2/c1-3-14-11(13)10-5-8(2)4-9(6-10)7-12/h4-6H,3,7H2,1-2H3
- InChI Key： BNRXBWYQSYYXGD-UHFFFAOYSA-N
- SMILES： BrCC1C=C(C(=O)OCC)C=C(C)C=1
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 194
- Topological Polar Surface Area: 26.3
Ethyl 3-(bromomethyl)-5-methylbenzoate Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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