| CAS Number | 851513-74-1 |
| Catalog Number | AG00IDK5(AGN-PC-0HPK4J) |
| Chemical Name | 2-(3-(Trifluoromethyl)phenyl)-4,5-dihydrooxazole |
| IUPAC Name | 2-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole |
| InChI | InChI=1S/C10H8F3NO/c11-10(12,13)8-3-1-2-7(6-8)9-14-4-5-15-9/h1-3,6H,4-5H2 |
| InChI Key | OMLULWXGBJGVNQ-UHFFFAOYSA-N |
| MDL Number | MFCD27929897 |
| Molecular Formula | C10H8F3NO |
| Molecular Weight | 215.1718 |
| SMILES | FC(F)(F)c1cccc(c1)C1=NCCO1 |
| Synonyms | 2-(3-(trifluoromethyl)phenyl)-4,5-dihydrooxazole,
851513-74-1,
Oxazole, 4,5-dihydro-2-[3-(trifluoromethyl)phenyl]-,
SCHEMBL9957948,
AKOS030627076,
2-[3-(Trifluoromethyl)phenyl]-2-oxazoline,
CS-0062231,
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| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.175g/mol |
| Monoisotopic Mass | 215.056g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 21.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number