| CAS Number | 1087788-93-9 |
| Catalog Number | AG019QV7 |
| Chemical Name | 2,2,2-trifluoroethyl N-(2,5-difluorophenyl)carbamate |
| IUPAC Name | 2,2,2-trifluoroethyl N-(2,5-difluorophenyl)carbamate |
| InChI | InChI=1S/C9H6F5NO2/c10-5-1-2-6(11)7(3-5)15-8(16)17-4-9(12,13)14/h1-3H,4H2,(H,15,16) |
| InChI Key | AQXFBDYYEBFVPS-UHFFFAOYSA-N |
| MDL Number | MFCD11099861 |
| Molecular Formula | C9H6F5NO2 |
| Molecular Weight | 255.1415 |
| SMILES | FC1=CC(NC(OCC(F)(F)F)=O)=C(F)C=C1 |
| Synonyms | 2,2,2-trifluoroethyl N-(2,5-difluorophenyl)carbamate,
1087788-93-9,
2,2,2-trifluoroethyl 2,5-difluorophenylcarbamate,
CTK7G4606,
ZINC32628884,
AKOS009101679,
MCULE-3041126240,
NE53751,
EN300-88433,
Z1713582945,
AC1Q4LTJ,
|
| Complexity | 271 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.031869g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.14g/mol |
| Monoisotopic Mass | 255.031869g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number