| CAS Number | 1087797-91-8 |
| Catalog Number | AG019QS9 |
| Chemical Name | 2,2,2-trifluoroethyl N-(3,5-dimethoxyphenyl)carbamate |
| IUPAC Name | 2,2,2-trifluoroethyl N-(3,5-dimethoxyphenyl)carbamate |
| InChI | InChI=1S/C11H12F3NO4/c1-17-8-3-7(4-9(5-8)18-2)15-10(16)19-6-11(12,13)14/h3-5H,6H2,1-2H3,(H,15,16) |
| InChI Key | IKMQAHDZHCPCGN-UHFFFAOYSA-N |
| MDL Number | MFCD11099781 |
| Molecular Formula | C11H12F3NO4 |
| Molecular Weight | 279.2125 |
| SMILES | COC1=CC(OC)=CC(NC(OCC(F)(F)F)=O)=C1 |
| Synonyms | 2,2,2-trifluoroethyl N-(3,5-dimethoxyphenyl)carbamate,
1087797-91-8,
2,2,2-trifluoroethyl 3,5-dimethoxyphenylcarbamate,
AC1Q499G,
CTK6J8777,
ZINC32628748,
AKOS009101785,
MCULE-6249558190,
NE41077,
EN300-88256,
Z1713582959,
|
| Complexity | 286 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.215g/mol |
| Monoisotopic Mass | 279.072g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 56.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number