Cas no 5360-94-1 (4'-Chloro-O-propionotoluidide)
4'-Chloro-O-propionotoluidide structure
Product Name:4'-Chloro-O-propionotoluidide
CAS No:5360-94-1
MF:C10H12ClNO
MW:197.661381721497
CID:2859231
PubChem ID:4176527
Update Time:2025-04-21
4'-Chloro-O-propionotoluidide Chemical and Physical Properties
Names and Identifiers
-
- NCGC00328640-01
- AKOS002957833
- Z28283979
- 5360-94-1
- AB01321826-02
- 4'-CHLORO-O-PROPIONOTOLUIDIDE
- 668-005-6
- 4'-Chloro-O-propionotoluidide
-
- Inchi： 1S/C10H12ClNO/c1-3-10(13)12-9-5-4-8(11)6-7(9)2/h4-6H,3H2,1-2H3,(H,12,13)
- InChI Key： JKHFHJSPWJVHJT-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=C(C)C=1)NC(CC)=O
Computed Properties
- Exact Mass: 197.0607417g/mol
- Monoisotopic Mass: 197.0607417g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 184
- 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: 2.4
- Topological Polar Surface Area: 29.1?2
4'-Chloro-O-propionotoluidide Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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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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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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