| CAS Number | 1087797-90-7 |
| Catalog Number | AG019QS7 |
| Chemical Name | 2,2,2-trifluoroethyl N-(2,3-dichlorophenyl)carbamate |
| IUPAC Name | 2,2,2-trifluoroethyl N-(2,3-dichlorophenyl)carbamate |
| InChI | InChI=1S/C9H6Cl2F3NO2/c10-5-2-1-3-6(7(5)11)15-8(16)17-4-9(12,13)14/h1-3H,4H2,(H,15,16) |
| InChI Key | BJKVDOZNMGQAPG-UHFFFAOYSA-N |
| MDL Number | MFCD11099779 |
| Molecular Formula | C9H6Cl2F3NO2 |
| Molecular Weight | 288.0506 |
| SMILES | FC(COC(NC1=C(Cl)C(Cl)=CC=C1)=O)(F)F |
| Synonyms | 2,2,2-trifluoroethyl N-(2,3-dichlorophenyl)carbamate,
2,2,2-trifluoroethyl 2,3-dichlorophenylcarbamate,
1087797-90-7,
AC1Q4K8V,
CTK7G7315,
ZINC32628744,
AKOS009101718,
NE61413,
EN300-88254,
|
| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 286.973g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 288.047g/mol |
| Monoisotopic Mass | 286.973g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number