| CAS Number | 1087788-91-7 |
| Catalog Number | AG019QV3 |
| Chemical Name | 2,2,2-trifluoroethyl N-(5-chloro-2-methoxyphenyl)carbamate |
| IUPAC Name | 2,2,2-trifluoroethyl N-(5-chloro-2-methoxyphenyl)carbamate |
| InChI | InChI=1S/C10H9ClF3NO3/c1-17-8-3-2-6(11)4-7(8)15-9(16)18-5-10(12,13)14/h2-4H,5H2,1H3,(H,15,16) |
| InChI Key | JBBBYBCFKMXAFD-UHFFFAOYSA-N |
| MDL Number | MFCD11099857 |
| Molecular Formula | C10H9ClF3NO3 |
| Molecular Weight | 283.6316 |
| SMILES | COC1=C(NC(OCC(F)(F)F)=O)C=C(Cl)C=C1 |
| Synonyms | 2,2,2-trifluoroethyl N-(5-chloro-2-methoxyphenyl)carbamate,
1087788-91-7,
2,2,2-trifluoroethyl 5-chloro-2-methoxyphenylcarbamate,
CTK7A7000,
AC1Q4647,
ZINC32628877,
AKOS009101946,
MCULE-9382758462,
NE44172,
EN300-88429,
Z1713582935,
|
| Complexity | 288 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.631g/mol |
| Monoisotopic Mass | 283.022g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 47.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number