| CAS Number | 1000932-40-0 |
| Catalog Number | AG019L9V |
| Chemical Name | 2,2,2-Trifluoroethyl 4-cyanophenylcarbamate |
| IUPAC Name | 2,2,2-trifluoroethyl N-(4-cyanophenyl)carbamate |
| InChI | InChI=1S/C10H7F3N2O2/c11-10(12,13)6-17-9(16)15-8-3-1-7(5-14)2-4-8/h1-4H,6H2,(H,15,16) |
| InChI Key | JANVIWCHIMGIJK-UHFFFAOYSA-N |
| MDL Number | MFCD09863367 |
| Molecular Formula | C10H7F3N2O2 |
| Molecular Weight | 244.1700 |
| SMILES | FC(COC(NC1=CC=C(C#N)C=C1)=O)(F)F |
| Synonyms | 2,2,2-trifluoroethyl N-(4-cyanophenyl)carbamate,
2,2,2-trifluoroethyl 4-cyanophenylcarbamate,
1000932-40-0,
EN300-30556,
AC1Q4K9U,
CTK7C7916,
ZINC20281440,
AKOS009102217,
IMED300170761,
MCULE-9353455763,
NE14555,
Z316170446,
|
| Complexity | 313 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.173g/mol |
| Monoisotopic Mass | 244.046g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 62.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number