| CAS Number | 325-06-4 |
| Catalog Number | AG019QLQ |
| Chemical Name | 2,2,2-trifluoroethyl N-{[1,1'-biphenyl]-4-yl}carbamate |
| IUPAC Name | 2,2,2-trifluoroethyl N-(4-phenylphenyl)carbamate |
| InChI | InChI=1S/C15H12F3NO2/c16-15(17,18)10-21-14(20)19-13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2,(H,19,20) |
| InChI Key | UQCXNFBXKZNZKP-UHFFFAOYSA-N |
| MDL Number | MFCD20441590 |
| Molecular Formula | C15H12F3NO2 |
| Molecular Weight | 295.2565 |
| SMILES | FC(COC(NC1=CC=C(C2=CC=CC=C2)C=C1)=O)(F)F |
| Synonyms | 2,2,2-trifluoroethyl N-(4-phenylphenyl)carbamate,
325-06-4,
ZINC51040613,
AKOS011537666,
NE27820,
EN300-87914,
J3.627.808K,
N-(Biphenyl-4-yl)carbamic acid 2,2,2-trifluoroethyl ester,
|
| Complexity | 332 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 295.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 295.261g/mol |
| Monoisotopic Mass | 295.082g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number