Cas no 88709-19-7 (Benzoic acid, 4-(bromomethyl)-2-ethoxy-)
88709-19-7 structure
Product Name:Benzoic acid, 4-(bromomethyl)-2-ethoxy-
CAS No:88709-19-7
MF:C10H11BrO3
MW:259.096542596817
CID:623752
PubChem ID:54514945
Update Time:2025-04-19
Benzoic acid, 4-(bromomethyl)-2-ethoxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-(bromomethyl)-2-ethoxy-
- 4-(bromomethyl)-2-ethoxybenzoic acid
- 88709-19-7
- SCHEMBL7605944
- DTXSID00711881
-
- Inchi： 1S/C10H11BrO3/c1-2-14-9-5-7(6-11)3-4-8(9)10(12)13/h3-5H,2,6H2,1H3,(H,12,13)
- InChI Key： YLTQEXSEXHPOMC-UHFFFAOYSA-N
- SMILES： BrCC1C=CC(C(=O)O)=C(C=1)OCC
Computed Properties
- Exact Mass: 257.98916g/mol
- Monoisotopic Mass: 257.98916g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 196
- 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: 2.3
- Topological Polar Surface Area: 46.5?2
Benzoic acid, 4-(bromomethyl)-2-ethoxy- Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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