Cas no 62595-00-0 (Acetamide, N,N'-(4-chloro-1,3-phenylene)bis-)
62595-00-0 structure
Product Name:Acetamide, N,N'-(4-chloro-1,3-phenylene)bis-
CAS No:62595-00-0
MF:C10H11ClN2O2
MW:226.659541368484
CID:438761
PubChem ID:12329478
Update Time:2025-04-19
Acetamide, N,N'-(4-chloro-1,3-phenylene)bis- Chemical and Physical Properties
Names and Identifiers
-
- Acetamide, N,N'-(4-chloro-1,3-phenylene)bis-
- N-(3-acetamido-4-chlorophenyl)acetamide
- N,N'-(4-Chloro-1,3-phenylene)diacetamide
- DTXSID60490261
- SCHEMBL3791892
- 62595-00-0
-
- Inchi： 1S/C10H11ClN2O2/c1-6(14)12-8-3-4-9(11)10(5-8)13-7(2)15/h3-5H,1-2H3,(H,12,14)(H,13,15)
- InChI Key： ZULKOEPQQCFKGX-UHFFFAOYSA-N
- SMILES： ClC1=CC=C(C=C1NC(C)=O)NC(C)=O
Computed Properties
- Exact Mass: 226.05103
- Monoisotopic Mass: 226.0509053g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 258
- 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: 0.7
- Topological Polar Surface Area: 58.2?2
Experimental Properties
- PSA: 58.2
Acetamide, N,N'-(4-chloro-1,3-phenylene)bis- Related Literature
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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3. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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