| CAS Number | 1240526-53-7 |
| Catalog Number | AG01A97B |
| Chemical Name | 2,2,2-trifluoroethyl N-[(pyridin-4-yl)methyl]carbamate |
| IUPAC Name | 2,2,2-trifluoroethyl N-(pyridin-4-ylmethyl)carbamate |
| InChI | InChI=1S/C9H9F3N2O2/c10-9(11,12)6-16-8(15)14-5-7-1-3-13-4-2-7/h1-4H,5-6H2,(H,14,15) |
| InChI Key | VRLOMDHWKMAMLS-UHFFFAOYSA-N |
| MDL Number | MFCD16622043 |
| Molecular Formula | C9H9F3N2O2 |
| Molecular Weight | 234.1752 |
| SMILES | FC(COC(NCC1=CC=NC=C1)=O)(F)F |
| Synonyms | 2,2,2-trifluoroethyl N-(pyridin-4-ylmethyl)carbamate,
1240526-53-7,
AC1Q4KB5,
ZINC57217757,
AKOS010717052,
MCULE-1566250301,
NE54801,
EN300-64369,
2,2,2-trifluoroethyl N-[(pyridin-4-yl)methyl]carbamate,
Z1238546114,
|
| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.178g/mol |
| Monoisotopic Mass | 234.062g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 51.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number