| CAS Number | 1087788-76-8 |
| Catalog Number | AG019QTG |
| Chemical Name | 2,2,2-trifluoroethyl N-[3-(propan-2-yl)phenyl]carbamate |
| IUPAC Name | 2,2,2-trifluoroethyl N-(3-propan-2-ylphenyl)carbamate |
| InChI | InChI=1S/C12H14F3NO2/c1-8(2)9-4-3-5-10(6-9)16-11(17)18-7-12(13,14)15/h3-6,8H,7H2,1-2H3,(H,16,17) |
| InChI Key | WBOULLDTXBVJEJ-UHFFFAOYSA-N |
| MDL Number | MFCD11099826 |
| Molecular Formula | C12H14F3NO2 |
| Molecular Weight | 261.2403 |
| SMILES | CC(C1=CC(NC(OCC(F)(F)F)=O)=CC=C1)C |
| Synonyms | 2,2,2-trifluoroethyl N-[3-(propan-2-yl)phenyl]carbamate,
1087788-76-8,
2,2,2-trifluoroethyl 3-isopropylphenylcarbamate,
AC1Q1OHX,
CTK7G6747,
ZINC32628824,
AKOS005874965,
NE59660,
EN300-88300,
|
| 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 | 3.7 |
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Certificate of Analysis
Lot Number