| CAS Number | 1087797-92-9 |
| Catalog Number | AG019QSB |
| Chemical Name | 2,2,2-trifluoroethyl N-[2-(propan-2-yl)phenyl]carbamate |
| IUPAC Name | 2,2,2-trifluoroethyl N-(2-propan-2-ylphenyl)carbamate |
| InChI | InChI=1S/C12H14F3NO2/c1-8(2)9-5-3-4-6-10(9)16-11(17)18-7-12(13,14)15/h3-6,8H,7H2,1-2H3,(H,16,17) |
| InChI Key | UYRORKQILIDXHF-UHFFFAOYSA-N |
| MDL Number | MFCD11099783 |
| Molecular Formula | C12H14F3NO2 |
| Molecular Weight | 261.2403 |
| SMILES | CC(C1=C(NC(OCC(F)(F)F)=O)C=CC=C1)C |
| Synonyms | 2,2,2-trifluoroethyl N-[2-(propan-2-yl)phenyl]carbamate,
1087797-92-9,
2,2,2-trifluoroethyl 2-isopropylphenylcarbamate,
AC1Q1OF0,
CTK7G7641,
ZINC32628751,
AKOS009102255,
MCULE-7803189284,
NE41983,
EN300-88258,
Z1713582943,
|
| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.244g/mol |
| Monoisotopic Mass | 261.098g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
Lot Number