| CAS Number | 1087797-98-5 |
| Catalog Number | AG019QSN |
| Chemical Name | 2,2,2-trifluoroethyl N-(3-bromophenyl)carbamate |
| IUPAC Name | 2,2,2-trifluoroethyl N-(3-bromophenyl)carbamate |
| InChI | InChI=1S/C9H7BrF3NO2/c10-6-2-1-3-7(4-6)14-8(15)16-5-9(11,12)13/h1-4H,5H2,(H,14,15) |
| InChI Key | FDTBGHDNTIZVBX-UHFFFAOYSA-N |
| MDL Number | MFCD01013360 |
| Molecular Formula | C9H7BrF3NO2 |
| Molecular Weight | 298.0566 |
| SMILES | FC(COC(NC1=CC(Br)=CC=C1)=O)(F)F |
| Synonyms | 2,2,2-trifluoroethyl N-(3-bromophenyl)carbamate,
1087797-98-5,
2,2,2-trifluoroethyl 3-bromophenylcarbamate,
AC1Q4K9L,
CTK7G6705,
ZINC32628771,
AKOS009102168,
MCULE-9484422479,
NE45319,
EN300-88270,
Z1713582925,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 296.961g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 298.059g/mol |
| Monoisotopic Mass | 296.961g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number