| CAS Number | 1087788-78-0 |
| Catalog Number | AG019QTK |
| Chemical Name | 2,2,2-Trifluoroethyl 2,2-difluoro-1,3-benzodioxol-5-ylcarbamate |
| IUPAC Name | 2,2,2-trifluoroethyl N-(2,2-difluoro-1,3-benzodioxol-5-yl)carbamate |
| InChI | InChI=1S/C10H6F5NO4/c11-9(12,13)4-18-8(17)16-5-1-2-6-7(3-5)20-10(14,15)19-6/h1-3H,4H2,(H,16,17) |
| InChI Key | VDJQRGMVIGOVIM-UHFFFAOYSA-N |
| MDL Number | MFCD11099830 |
| Molecular Formula | C10H6F5NO4 |
| Molecular Weight | 299.1510 |
| SMILES | FC(COC(NC1=CC2=C(OC(O2)(F)F)C=C1)=O)(F)F |
| Synonyms | 2,2,2-trifluoroethyl N-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)carbamate,
1087788-78-0,
2,2,2-trifluoroethyl 2,2-difluoro-1,3-benzodioxol-5-ylcarbamate,
AC1Q4KA6,
CTK7G6642,
ZINC32628833,
AKOS009101680,
NE56044,
EN300-88304,
|
| Complexity | 375 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 299.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 299.153g/mol |
| Monoisotopic Mass | 299.022g/mol |
| Rotatable Bond Count | 3 |
| 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