Cas no 93595-12-1 (5-Amino-3-(trichloromethyl)-1,2-oxazole-4-carbonitrile)
93595-12-1 structure
Product Name:5-Amino-3-(trichloromethyl)-1,2-oxazole-4-carbonitrile
CAS No:93595-12-1
MF:C5H2Cl3N3O
MW:226.447877407074
CID:2817171
PubChem ID:13168210
Update Time:2025-04-21
5-Amino-3-(trichloromethyl)-1,2-oxazole-4-carbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 5-amino-4-cyano-3-trichloromethyl-isoxazole
- 5-Amino-3-(trichloromethyl)-1,2-oxazole-4-carbonitrile
- DTXSID90524321
- 93595-12-1
- DTXCID30475126
- 5-amino-3-(trichloromethyl)isoxazole-4-carbonitrile
-
- Inchi： 1S/C5H2Cl3N3O/c6-5(7,8)3-2(1-9)4(10)12-11-3/h10H2
- InChI Key： MBTAQVISRUXEDO-UHFFFAOYSA-N
- SMILES： ClC(C1C(C#N)=C(N)ON=1)(Cl)Cl
Computed Properties
- Exact Mass: 224.926345Da
- Monoisotopic Mass: 224.926345Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 220
- 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: 1.9
- Topological Polar Surface Area: 75.8?2
5-Amino-3-(trichloromethyl)-1,2-oxazole-4-carbonitrile Related Literature
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1. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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