| CAS Number | 1087798-32-0 |
| Catalog Number | AG019QVA |
| Chemical Name | 2,2,2-trifluoroethyl N-(4-methyl-3-nitrophenyl)carbamate |
| IUPAC Name | 2,2,2-trifluoroethyl N-(4-methyl-3-nitrophenyl)carbamate |
| InChI | InChI=1S/C10H9F3N2O4/c1-6-2-3-7(4-8(6)15(17)18)14-9(16)19-5-10(11,12)13/h2-4H,5H2,1H3,(H,14,16) |
| InChI Key | VXLCTEVJRXVGFO-UHFFFAOYSA-N |
| MDL Number | MFCD11099864 |
| Molecular Formula | C10H9F3N2O4 |
| Molecular Weight | 278.1847 |
| SMILES | CC1=C([N+]([O-])=O)C=C(NC(OCC(F)(F)F)=O)C=C1 |
| Synonyms | 2,2,2-trifluoroethyl N-(4-methyl-3-nitrophenyl)carbamate,
1087798-32-0,
2,2,2-trifluoroethyl 4-methyl-3-nitrophenylcarbamate,
AC1Q2EGP,
CTK7G4975,
ZINC32628889,
AKOS005875289,
NE57982,
EN300-88436,
|
| Complexity | 343 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.187g/mol |
| Monoisotopic Mass | 278.051g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 84.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
Lot Number