Cas no 728008-71-7 (Benzonitrile,4-[(5-ethyl-1H-pyrrol-2-yl)carbonyl]-)
![Benzonitrile,4-[(5-ethyl-1H-pyrrol-2-yl)carbonyl]- structure](https://ossimg.kuujia.com/scimg/728500/728008-71-7x500.png)
728008-71-7 structure
Product Name:Benzonitrile,4-[(5-ethyl-1H-pyrrol-2-yl)carbonyl]-
CAS No:728008-71-7
MF:C14H12N2O
MW:224.257883071899
CID:559091
PubChem ID:45095529
Update Time:2025-04-19
Benzonitrile,4-[(5-ethyl-1H-pyrrol-2-yl)carbonyl]- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile,4-[(5-ethyl-1H-pyrrol-2-yl)carbonyl]-
- 4-[(5-Ethyl-1H-pyrrol-2-yl)carbonyl]benzonitrile
- Benzonitrile, 4-[(5-ethyl-1H-pyrrol-2-yl)carbonyl]- (9CI)
- SCHEMBL3821306
- HYMIRLPQMORHNE-UHFFFAOYSA-N
- Benzonitrile,4-[(5-ethyl-1H-pyrrol-2-yl)carbonyl]-(9ci)
- 728008-71-7
- 4-[(5-ethyl-1H-pyrrol-2-yl)carbonyl]-benzonitrile
-
- Inchi： 1S/C14H12N2O/c1-2-12-7-8-13(16-12)14(17)11-5-3-10(9-15)4-6-11/h3-8,16H,2H2,1H3
- InChI Key： HYMIRLPQMORHNE-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC(C#N)=CC=1)C1=CC=C(CC)N1
Computed Properties
- Exact Mass: 224.095
- Monoisotopic Mass: 224.095
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 322
- 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
- Topological Polar Surface Area: 56.6A^2
- XLogP3: 2.9
Benzonitrile,4-[(5-ethyl-1H-pyrrol-2-yl)carbonyl]- Related Literature
-
Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
-
José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
-
Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
-
Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
-
Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
728008-71-7 (Benzonitrile,4-[(5-ethyl-1H-pyrrol-2-yl)carbonyl]-) Related Products
- 57954-94-6( )
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
- 1449132-38-0(3-Fluoro-5-(2-fluoro-5-methylbenzylcarbamoyl)benzeneboronic acid)
Recommended suppliers
Shaanxi pure crystal photoelectric technology co. LTD
Gold Member
Audited Supplier
CN Supplier
Reagent
Shandong Jing Kun Chemical Co.,Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Zhangzhou Sinobioway Peptide Co.,Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
Beyond Pharmaceutical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Reagent
Hebei Liye chemical Co.,Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
