| CAS Number | 147221-33-8 |
| Catalog Number | AG00AE1P(AGN-PC-0NGJPO) |
| Chemical Name | 2,2,2-TrichloroacetiMidic Acid 2-Phenylpropan-2-yl Ester |
| IUPAC Name | 2-phenylpropan-2-yl 2,2,2-trichloroethanimidate |
| InChI | InChI=1S/C11H12Cl3NO/c1-10(2,8-6-4-3-5-7-8)16-9(15)11(12,13)14/h3-7,15H,1-2H3 |
| InChI Key | BWGVXRMDMKDUEJ-UHFFFAOYSA-N |
| MDL Number | MFCD28665335 |
| Molecular Formula | C11H12Cl3NO |
| Molecular Weight | 280.5781 |
| SMILES | ClC(C(OC(C)(C)C1=CC=CC=C1)=N)(Cl)Cl |
| Synonyms | 147221-33-8,
2-phenylpropan-2-yl 2,2,2-trichloroacetimidate,
SCHEMBL419626,
1-methyl-1-phenylethyl 2,2,2-trichloroacetimidoate,
BWGVXRMDMKDUEJ-UHFFFAOYSA-N,
2-phenyl-2-propyl trichloroacetimidate,
2,2,2-Trichloroacetimidic Acid 2-Phenylpropan-2-yl Ester,
2,2,2-Trichloroacetimidic acid alpha,alpha-dimethylbenzyl ester,
CID11140517,
2,2,2-trichloro-1-(2-phenylpropan-2-yloxy)ethanimine,
|
| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.998g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.573g/mol |
| Monoisotopic Mass | 278.998g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 33.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number