Cas no 18910-15-1 (Benzenepropanoic acid, a-bromo-4-carboxy-)
18910-15-1 structure
Product Name:Benzenepropanoic acid, a-bromo-4-carboxy-
CAS No:18910-15-1
MF:C10H9BrO4
MW:273.080062627792
CID:227877
PubChem ID:265269
Update Time:2025-04-19
Benzenepropanoic acid, a-bromo-4-carboxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzenepropanoic acid, a-bromo-4-carboxy-
- 4-(2-bromo-2-carboxyethyl)benzoic acid
- AC1L6DLO
- AC1Q243Q
- AG-J-11753
- AR-1F5837
- CTK4E0031
- NSC101128
- 18910-15-1
- DTXSID80295311
- NSC-101128
-
- Inchi： 1S/C10H9BrO4/c11-8(10(14)15)5-6-1-3-7(4-2-6)9(12)13/h1-4,8H,5H2,(H,12,13)(H,14,15)
- InChI Key： MMKKZZMGWQXQAO-UHFFFAOYSA-N
- SMILES： BrC(C(=O)O)CC1C=CC(C(=O)O)=CC=1
Computed Properties
- Exact Mass: 271.96837
- Monoisotopic Mass: 271.96842g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 246
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.1
- Topological Polar Surface Area: 74.6?2
Experimental Properties
- PSA: 74.6
- LogP: 1.77540
Benzenepropanoic acid, a-bromo-4-carboxy- Related Literature
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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