Cas no 857623-77-9 (Acetanilide, 2,4-dicyano- (4CI))
857623-77-9 structure
Product Name:Acetanilide, 2,4-dicyano- (4CI)
CAS No:857623-77-9
MF:C10H7N3O
MW:185.182081460953
CID:717764
Update Time:2023-03-28
Acetanilide, 2,4-dicyano- (4CI) Chemical and Physical Properties
Names and Identifiers
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- Acetamide,N-(2,4-dicyanophenyl)-
- Acetanilide, 2,4-dicyano- (4CI)
- Acetanilide, 2,4-dicyano- (4CI)
- N-(2,4-dicyanophenyl)acetamide
- Acetamide, N-(2,4-dicyanophenyl)-
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- Inchi： 1S/C10H7N3O/c1-7(14)13-10-3-2-8(5-11)4-9(10)6-12/h2-4H,1H3,(H,13,14)
- InChI Key： RMNRRUFHRABYGE-UHFFFAOYSA-N
- SMILES： C(NC1=CC=C(C#N)C=C1C#N)(=O)C
Computed Properties
- Exact Mass: 185.059
- Monoisotopic Mass: 185.059
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 319
- 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: 0.3
- Topological Polar Surface Area: 76.7A^2
Acetanilide, 2,4-dicyano- (4CI) Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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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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