Cas no 7007-08-1 (Oxazole, 4-bromo-2,5-diphenyl-)
7007-08-1 structure
Product Name:Oxazole, 4-bromo-2,5-diphenyl-
CAS No:7007-08-1
MF:C9H14N2O2
MW:182.219662189484
CID:581778
PubChem ID:5230054
Update Time:2025-04-19
Oxazole, 4-bromo-2,5-diphenyl- Chemical and Physical Properties
Names and Identifiers
-
- Oxazole, 4-bromo-2,5-diphenyl-
- 1H-pyrazole-4-carboxylic acid, 3,5-dimethyl-1-(1-methylethyl)-; 1-Isopropyl-3,5-dimethyl-1H-pyrazole-4-carboxylic acid; 3,5-dimethyl-1-(propan-2-yl)-1H-pyrazole-4-carboxylic acid
- AS-71329
- SY299790
- DTXSID00411718
- CS-0183526
- FT-0678947
- 7007-08-1
- SCHEMBL8271720
- Z802539814
- EN300-1141713
- 1-isopropyl-3,5-dimethylpyrazole-4-carboxylic acid
- AKOS002659347
- P18640
- 1007542-01-9
- BB 0240794
- MFCD06260701
- 1-isopropyl-3,5-dimethyl-1H-pyrazole-4-carboxylic acid
- 1H-Pyrazole-4-carboxylic acid, 3,5-dimethyl-1-(1-methylethyl)-
- 3,5-dimethyl-1-(propan-2-yl)-1H-pyrazole-4-carboxylic acid
- 3,5-dimethyl-1-propan-2-ylpyrazole-4-carboxylic acid
-
- Inchi： 1S/C9H14N2O2/c1-5(2)11-7(4)8(9(12)13)6(3)10-11/h5H,1-4H3,(H,12,13)
- InChI Key： YLPYLNUXWGDQAG-UHFFFAOYSA-N
- SMILES： OC(C1C(C)=NN(C=1C)C(C)C)=O
Computed Properties
- Exact Mass: 182.10562
- Monoisotopic Mass: 182.105527694g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 206
- 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: 1.3
- Topological Polar Surface Area: 55.1?2
Experimental Properties
- PSA: 55.12
Oxazole, 4-bromo-2,5-diphenyl- Related Literature
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
-
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
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
-
Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
7007-08-1 (Oxazole, 4-bromo-2,5-diphenyl-) Related Products
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