Cas no 1131594-62-1 (3-Bromo-4-(4-ethylpiperazin-1-yl)benzoic acid)
1131594-62-1 structure
Product Name:3-Bromo-4-(4-ethylpiperazin-1-yl)benzoic acid
CAS No:1131594-62-1
MF:C13H17BrN2O2
MW:313.190282583237
CID:1030427
PubChem ID:45072157
Update Time:2025-04-20
3-Bromo-4-(4-ethylpiperazin-1-yl)benzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 3-Bromo-4-(4-ethylpiperazin-1-yl)benzoic acid
- DB-366106
- DTXSID60662421
- AKOS015843338
- 1131594-62-1
-
- Inchi： 1S/C13H17BrN2O2/c1-2-15-5-7-16(8-6-15)12-4-3-10(13(17)18)9-11(12)14/h3-4,9H,2,5-8H2,1H3,(H,17,18)
- InChI Key： HENIRMHJRKHXTK-UHFFFAOYSA-N
- SMILES： BrC1C=C(C(=O)O)C=CC=1N1CCN(CC)CC1
Computed Properties
- Exact Mass: 312.04734g/mol
- Monoisotopic Mass: 312.04734g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 293
- 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: 0.2
- Topological Polar Surface Area: 43.8?2
3-Bromo-4-(4-ethylpiperazin-1-yl)benzoic acid 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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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
-
Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
1131594-62-1 (3-Bromo-4-(4-ethylpiperazin-1-yl)benzoic acid) Related Products
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