Cas no 1178145-66-8 (4-Bromo-2-(ethoxycarbonyl)benzoic acid)
1178145-66-8 structure
Product Name:4-Bromo-2-(ethoxycarbonyl)benzoic acid
CAS No:1178145-66-8
MF:C10H9BrO4
MW:273.080062627792
CID:2106990
Update Time:2023-08-03
4-Bromo-2-(ethoxycarbonyl)benzoic acid Chemical and Physical Properties
Names and Identifiers
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- 4-bromo-2-(ethoxycarbonyl)benzoic acid
- 4-Bromo-2-(ethoxycarbonyl)benzoic acid
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- Inchi： 1S/C10H9BrO4/c1-2-15-10(14)8-5-6(11)3-4-7(8)9(12)13/h3-5H,2H2,1H3,(H,12,13)
- InChI Key： KDHOTQIGSCDREO-UHFFFAOYSA-N
- SMILES： BrC1C=CC(C(=O)O)=C(C(=O)OCC)C=1
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 254
- XLogP3: 3.3
- Topological Polar Surface Area: 63.6
4-Bromo-2-(ethoxycarbonyl)benzoic acid Related Literature
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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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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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