| CAS Number | 14038-06-3 |
| Catalog Number | AG01ETRT(AGN-PC-00JVA4) |
| Chemical Name | 1-Methoxy-4-(pentafluoroethyl)benzene |
| IUPAC Name | 1-methoxy-4-(1,1,2,2,2-pentafluoroethyl)benzene |
| InChI | InChI=1S/C9H7F5O/c1-15-7-4-2-6(3-5-7)8(10,11)9(12,13)14/h2-5H,1H3 |
| InChI Key | OYAYJSSZNWHFQH-UHFFFAOYSA-N |
| MDL Number | MFCD20483361 |
| Molecular Formula | C9H7F5O |
| Molecular Weight | 226.1433 |
| SMILES | COC1=CC=C(C=C1)C(C(F)(F)F)(F)F |
| Synonyms | 1-Methoxy-4-(pentafluoroethyl)benzene,
14038-06-3,
SCHEMBL689878,
DTXSID40512036,
OYAYJSSZNWHFQH-UHFFFAOYSA-N,
1-Methoxy-4-pentafluoroethylbenzene,
1-methoxy-4-pentafluoroethyl-benzene,
ZINC39320521,
1-(Pentafluoroethyl)-4-methoxybenzene,
J3.532.429A,
|
| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.146g/mol |
| Monoisotopic Mass | 226.042g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number