| CAS Number | 1087797-86-1 |
| Catalog Number | AG019QRZ |
| Chemical Name | 2,2,2-trifluoroethyl N-(4-chloro-2,5-dimethoxyphenyl)carbamate |
| IUPAC Name | 2,2,2-trifluoroethyl N-(4-chloro-2,5-dimethoxyphenyl)carbamate |
| InChI | InChI=1S/C11H11ClF3NO4/c1-18-8-4-7(9(19-2)3-6(8)12)16-10(17)20-5-11(13,14)15/h3-4H,5H2,1-2H3,(H,16,17) |
| InChI Key | JNJFWFQEDVLYGV-UHFFFAOYSA-N |
| MDL Number | MFCD11099772 |
| Molecular Formula | C11H11ClF3NO4 |
| Molecular Weight | 313.6575 |
| SMILES | COC1=C(Cl)C=C(OC)C(NC(OCC(F)(F)F)=O)=C1 |
| Synonyms | 2,2,2-trifluoroethyl N-(4-chloro-2,5-dimethoxyphenyl)carbamate,
1087797-86-1,
2,2,2-trifluoroethyl 4-chloro-2,5-dimethoxyphenylcarbamate,
AC1Q48FE,
CTK6J7888,
ZINC32628732,
AKOS009101903,
NE55546,
EN300-88246,
Z1723814585,
|
| Complexity | 329 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 313.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 313.657g/mol |
| Monoisotopic Mass | 313.033g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 56.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number