| CAS Number | 1087797-84-9 |
| Catalog Number | AG019QRX |
| Chemical Name | 2,2,2-trifluoroethyl N-(3,4-dimethylphenyl)carbamate |
| IUPAC Name | 2,2,2-trifluoroethyl N-(3,4-dimethylphenyl)carbamate |
| InChI | InChI=1S/C11H12F3NO2/c1-7-3-4-9(5-8(7)2)15-10(16)17-6-11(12,13)14/h3-5H,6H2,1-2H3,(H,15,16) |
| InChI Key | OJXBGWDPMIESKY-UHFFFAOYSA-N |
| MDL Number | MFCD11099768 |
| Molecular Formula | C11H12F3NO2 |
| Molecular Weight | 247.2137 |
| SMILES | CC1=C(C)C=C(NC(OCC(F)(F)F)=O)C=C1 |
| Synonyms | 2,2,2-trifluoroethyl N-(3,4-dimethylphenyl)carbamate,
1087797-84-9,
2,2,2-trifluoroethyl 3,4-dimethylphenylcarbamate,
AC1Q2DY1,
CTK7G5039,
ZINC32628725,
AKOS009102213,
MCULE-3326590030,
NE40436,
EN300-88244,
Z1713582933,
|
| Complexity | 268 |
| 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 | 3.6 |
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Certificate of Analysis
Lot Number