| CAS Number | 1087798-11-5 |
| Catalog Number | AG019Y1E |
| Chemical Name | 2,2,2-trifluoroethyl N-(quinolin-8-yl)carbamate |
| IUPAC Name | 2,2,2-trifluoroethyl N-quinolin-8-ylcarbamate |
| InChI | InChI=1S/C12H9F3N2O2/c13-12(14,15)7-19-11(18)17-9-5-1-3-8-4-2-6-16-10(8)9/h1-6H,7H2,(H,17,18) |
| InChI Key | QARMLTHMRWDLCB-UHFFFAOYSA-N |
| MDL Number | MFCD11099821 |
| Molecular Formula | C12H9F3N2O2 |
| Molecular Weight | 270.2073 |
| SMILES | FC(COC(NC1=C2C(C=CC=N2)=CC=C1)=O)(F)F |
| Synonyms | 2,2,2-trifluoroethyl N-(quinolin-8-yl)carbamate,
1087798-11-5,
AC1Q4K9A,
CTK7G7430,
ZINC32628816,
AKOS009101940,
MCULE-1821419925,
NE60058,
EN300-56665,
Z910843238,
|
| Complexity | 323 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.211g/mol |
| Monoisotopic Mass | 270.062g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 51.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number