| CAS Number | 1087788-80-4 |
| Catalog Number | AG019QTN |
| Chemical Name | 2,2,2-trifluoroethyl N-(3,5-dimethylphenyl)carbamate |
| IUPAC Name | 2,2,2-trifluoroethyl N-(3,5-dimethylphenyl)carbamate |
| InChI | InChI=1S/C11H12F3NO2/c1-7-3-8(2)5-9(4-7)15-10(16)17-6-11(12,13)14/h3-5H,6H2,1-2H3,(H,15,16) |
| InChI Key | SKYMSALHXPRGPB-UHFFFAOYSA-N |
| MDL Number | MFCD11099834 |
| Molecular Formula | C11H12F3NO2 |
| Molecular Weight | 247.2137 |
| SMILES | CC1=CC(NC(OCC(F)(F)F)=O)=CC(C)=C1 |
| Synonyms | 2,2,2-trifluoroethyl N-(3,5-dimethylphenyl)carbamate,
1087788-80-4,
2,2,2-trifluoroethyl 3,5-dimethylphenylcarbamate,
AC1Q2J3G,
CTK7G4360,
ZINC32628839,
AKOS009101786,
MCULE-3391326600,
NE40569,
EN300-88307,
Z1713582961,
|
| Complexity | 258 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.217g/mol |
| Monoisotopic Mass | 247.082g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number