| CAS Number | 1087797-83-8 |
| Catalog Number | AG019QRV |
| Chemical Name | 2,2,2-trifluoroethyl N-(3,4,5-trimethoxyphenyl)carbamate |
| IUPAC Name | 2,2,2-trifluoroethyl N-(3,4,5-trimethoxyphenyl)carbamate |
| InChI | InChI=1S/C12H14F3NO5/c1-18-8-4-7(5-9(19-2)10(8)20-3)16-11(17)21-6-12(13,14)15/h4-5H,6H2,1-3H3,(H,16,17) |
| InChI Key | OWNCNGQKHAMJNC-UHFFFAOYSA-N |
| MDL Number | MFCD11099766 |
| Molecular Formula | C12H14F3NO5 |
| Molecular Weight | 309.2385 |
| SMILES | COC1=C(OC)C(OC)=CC(NC(OCC(F)(F)F)=O)=C1 |
| Synonyms | 2,2,2-trifluoroethyl N-(3,4,5-trimethoxyphenyl)carbamate,
1087797-83-8,
2,2,2-trifluoroethyl 3,4,5-trimethoxyphenylcarbamate,
CTK6J8778,
ZINC32628722,
AKOS009101823,
MCULE-3478236515,
NE39780,
EN300-88242,
Z1713582937,
AC1Q48TP,
|
| Complexity | 325 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 309.082407g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 309.24g/mol |
| Monoisotopic Mass | 309.082407g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 66Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number