| CAS Number | 1087789-00-1 |
| Catalog Number | AG019QVJ |
| Chemical Name | 2,2,2-trifluoroethyl N-(4-tert-butylphenyl)carbamate |
| IUPAC Name | 2,2,2-trifluoroethyl N-(4-tert-butylphenyl)carbamate |
| InChI | InChI=1S/C13H16F3NO2/c1-12(2,3)9-4-6-10(7-5-9)17-11(18)19-8-13(14,15)16/h4-7H,8H2,1-3H3,(H,17,18) |
| InChI Key | ATNHESAJBLNPDA-UHFFFAOYSA-N |
| MDL Number | MFCD11099875 |
| Molecular Formula | C13H16F3NO2 |
| Molecular Weight | 275.2668 |
| SMILES | CC(C1=CC=C(NC(OCC(F)(F)F)=O)C=C1)(C)C |
| Synonyms | 2,2,2-trifluoroethyl N-(4-tert-butylphenyl)carbamate,
2,2,2-trifluoroethyl 4-tert-butylphenylcarbamate,
1087789-00-1,
AC1Q1M8G,
CTK7G5446,
ZINC32628908,
AKOS005875099,
MCULE-4626248249,
NE58908,
EN300-88445,
|
| Complexity | 302 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.113g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.271g/mol |
| Monoisotopic Mass | 275.113g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.6 |
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Certificate of Analysis
Lot Number