Cas no 113732-98-2 (Ethanone,2-bromo-1-(4-methyl-5-oxazolyl)-)
113732-98-2 structure
Product Name:Ethanone,2-bromo-1-(4-methyl-5-oxazolyl)-
CAS No:113732-98-2
MF:C6H6BrNO2
MW:204.021340847015
CID:130255
PubChem ID:19974305
Update Time:2025-04-19
Ethanone,2-bromo-1-(4-methyl-5-oxazolyl)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone,2-bromo-1-(4-methyl-5-oxazolyl)-
- 2-bromo-1-(4-methyl-1,3-oxazol-5-yl)ethanone
- Ethanone, 2-bromo-1-(4-methyl-5-oxazolyl)- (9CI)
- 4-Methyl-5-bromoacetyl-oxazole
- SCHEMBL8879079
- IDUOJJOHBVBLAL-UHFFFAOYSA-N
- DTXSID70601604
- 2-Bromo-1-(4-methyloxazol-5-yl)ethanone
- AKOS017559820
- 113732-98-2
- 2-Bromo-1-(4-methyl-1,3-oxazol-5-yl)ethan-1-one
-
- Inchi： 1S/C6H6BrNO2/c1-4-6(5(9)2-7)10-3-8-4/h3H,2H2,1H3
- InChI Key： IDUOJJOHBVBLAL-UHFFFAOYSA-N
- SMILES： BrCC(C1=C(C)N=CO1)=O
Computed Properties
- Exact Mass: 202.95818
- Monoisotopic Mass: 202.95819g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 140
- 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: 1.5
- Topological Polar Surface Area: 43.1?2
Experimental Properties
- PSA: 43.1
Ethanone,2-bromo-1-(4-methyl-5-oxazolyl)- Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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