| CAS Number | 4698-95-7 |
| Catalog Number | AG00DZWG(AGN-PC-05JC0S) |
| Chemical Name | 2-{[2-(Trifluoromethyl)phenoxy]methyl}oxirane |
| IUPAC Name | 2-[[2-(trifluoromethyl)phenoxy]methyl]oxirane |
| InChI | InChI=1S/C10H9F3O2/c11-10(12,13)8-3-1-2-4-9(8)15-6-7-5-14-7/h1-4,7H,5-6H2 |
| InChI Key | RKCRMVILALALDZ-UHFFFAOYSA-N |
| MDL Number | MFCD09731082 |
| Molecular Formula | C10H9F3O2 |
| Molecular Weight | 218.1725 |
| SMILES | FC(C1=C(OCC2OC2)C=CC=C1)(F)F |
| Synonyms | 2-[2-(trifluoromethyl)phenoxymethyl]oxirane,
4698-95-7,
2-{[2-(TRIFLUOROMETHYL)PHENOXY]METHYL}OXIRANE,
2-[[2-(trifluoromethyl)phenoxy]methyl]oxirane,
2-((2-(TRIFLUOROMETHYL)PHENOXY)METHYL)OXIRANE,
AC1Q4IQV,
SCHEMBL5514047,
CTK7B6897,
DTXSID80504571,
AKOS000141917,
AS-30991,
EN300-50303,
A806809,
Oxirane, 2-[[2-(trifluoromethyl)phenoxy]methyl]-,
(S)-2-((2-(TRIFLUOROMETHYL)PHENOXY)METHYL)OXIRANE,
(R)-2-((2-(TRIFLUOROMETHYL)PHENOXY)METHYL)OXIRANE,
134598-04-2,
1352549-02-0,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.175g/mol |
| Monoisotopic Mass | 218.055g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 21.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number