Cas no 104600-30-8 (3-Cyclopropylamino-2-(2,4-dichloro-5-fluoro-benzoyl)-acrylic acid ethyl ester)
104600-30-8 structure
Product Name:3-Cyclopropylamino-2-(2,4-dichloro-5-fluoro-benzoyl)-acrylic acid ethyl ester
CAS No:104600-30-8
MF:C15H14Cl2FNO3
MW:346.180965900421
CID:2861387
Update Time:2023-08-10
3-Cyclopropylamino-2-(2,4-dichloro-5-fluoro-benzoyl)-acrylic acid ethyl ester Chemical and Physical Properties
Names and Identifiers
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- 3-Cyclopropylamino-2-(2,4-dichloro-5-fluoro-benzoyl)-acrylic acid ethyl ester
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- Inchi： 1S/C15H14Cl2FNO3/c1-2-22-15(21)10(7-19-8-3-4-8)14(20)9-5-13(18)12(17)6-11(9)16/h5-8,20H,2-4H2,1H3/b14-10+,19-7+
- InChI Key： ARMCOAAVDPXPRM-KARWEHORSA-N
- SMILES： ClC1C=C(C(=CC=1/C(=C(\C(=O)OCC)/C=N/C1CC1)/O)F)Cl
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 22
- Rotatable Bond Count: 6
- Complexity: 479
- XLogP3: 4.2
- Topological Polar Surface Area: 58.9
3-Cyclopropylamino-2-(2,4-dichloro-5-fluoro-benzoyl)-acrylic acid ethyl ester Related Literature
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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