| CAS Number | 1087788-66-6 |
| Catalog Number | AG019QSZ |
| Chemical Name | 2,2,2-trifluoroethyl N-(2-bromo-4-methylphenyl)carbamate |
| IUPAC Name | 2,2,2-trifluoroethyl N-(2-bromo-4-methylphenyl)carbamate |
| InChI | InChI=1S/C10H9BrF3NO2/c1-6-2-3-8(7(11)4-6)15-9(16)17-5-10(12,13)14/h2-4H,5H2,1H3,(H,15,16) |
| InChI Key | XDBYVTLOSMTJGC-UHFFFAOYSA-N |
| MDL Number | MFCD11099807 |
| Molecular Formula | C10H9BrF3NO2 |
| Molecular Weight | 312.0832 |
| SMILES | CC1=CC(Br)=C(NC(OCC(F)(F)F)=O)C=C1 |
| Synonyms | 2,2,2-trifluoroethyl N-(2-bromo-4-methylphenyl)carbamate,
1087788-66-6,
2,2,2-trifluoroethyl 2-bromo-4-methylphenylcarbamate,
AC1Q2HJE,
CTK7G5943,
ZINC32628792,
AKOS009102049,
MCULE-3083568250,
NE59845,
EN300-88282,
Z1723814456,
|
| Complexity | 273 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 310.977g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 312.086g/mol |
| Monoisotopic Mass | 310.977g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number