Cas no 70625-38-6 (2-Propenoic acid, 3-[2-(bromomethyl)phenyl]-, methyl ester)
![2-Propenoic acid, 3-[2-(bromomethyl)phenyl]-, methyl ester structure](https://ossimg.kuujia.com/scimg/71000/70625-38-6x500.png)
70625-38-6 structure
Product Name:2-Propenoic acid, 3-[2-(bromomethyl)phenyl]-, methyl ester
CAS No:70625-38-6
MF:C11H11BrO2
MW:255.107842683792
CID:531089
PubChem ID:53655733
Update Time:2025-04-19
2-Propenoic acid, 3-[2-(bromomethyl)phenyl]-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid, 3-[2-(bromomethyl)phenyl]-, methyl ester
- methyl 3-[2-(bromomethyl)phenyl]prop-2-enoate
- AKOS005067635
- SCHEMBL6821249
- 70625-38-6
-
- Inchi： 1S/C11H11BrO2/c1-14-11(13)7-6-9-4-2-3-5-10(9)8-12/h2-7H,8H2,1H3
- InChI Key： APTKTAVEUREZBJ-UHFFFAOYSA-N
- SMILES： BrCC1C=CC=CC=1C=CC(=O)OC
Computed Properties
- Exact Mass: 253.99424g/mol
- Monoisotopic Mass: 253.99424g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 213
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 2.8
- Topological Polar Surface Area: 26.3?2
2-Propenoic acid, 3-[2-(bromomethyl)phenyl]-, methyl ester Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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