| CAS Number | 200876-84-2 |
| Catalog Number | AG01A8DB |
| Chemical Name | 2,2,2-trifluoroethyl N-(3-fluorophenyl)carbamate |
| IUPAC Name | 2,2,2-trifluoroethyl N-(3-fluorophenyl)carbamate |
| InChI | InChI=1S/C9H7F4NO2/c10-6-2-1-3-7(4-6)14-8(15)16-5-9(11,12)13/h1-4H,5H2,(H,14,15) |
| InChI Key | KYNKUHNOWOICID-UHFFFAOYSA-N |
| MDL Number | MFCD00091248 |
| Molecular Formula | C9H7F4NO2 |
| Molecular Weight | 237.1510 |
| SMILES | FC1=CC(NC(OCC(F)(F)F)=O)=CC=C1 |
| Synonyms | 2,2,2-trifluoroethyl N-(3-fluorophenyl)carbamate,
200876-84-2,
AC1Q4LTL,
AC1N47OL,
AC1Q4MW7,
CTK7G6893,
ZINC2172816,
AKOS009101715,
MCULE-5677051308,
NE17789,
EN300-61364,
Z992717136,
CID4150220,
|
| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.154g/mol |
| Monoisotopic Mass | 237.041g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number