| CAS Number | 251096-81-8 |
| Catalog Number | AG00IOX9(AGN-PC-0WAPBL) |
| Chemical Name | 2,2,2-trichloro-N-(4-morpholinophenyl)acetamide |
| IUPAC Name | 2,2,2-trichloro-N-(4-morpholin-4-ylphenyl)acetamide |
| InChI | InChI=1S/C12H13Cl3N2O2/c13-12(14,15)11(18)16-9-1-3-10(4-2-9)17-5-7-19-8-6-17/h1-4H,5-8H2,(H,16,18) |
| InChI Key | HOYNOLSOHJOVCH-UHFFFAOYSA-N |
| MDL Number | MFCD00172687 |
| Molecular Formula | C12H13Cl3N2O2 |
| Molecular Weight | 323.6028 |
| SMILES | ClC(Cl)(Cl)C(=O)NC1=CC=C(C=C1)N1CCOCC1 |
| Synonyms | 251096-81-8,
2,2,2-trichloro-N-(4-morpholinophenyl)acetamide,
2,2,2-trichloro-N-[4-(morpholin-4-yl)phenyl]acetamide,
AC1LS010,
KS-00001QMO,
ZINC1393143,
AKOS005074509,
10G-325S,
2,2,2-trichloro-N-(4-morpholin-4-ylphenyl)acetamide,
ZINC01393143,
CID1480218,
|
| Complexity | 309 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 322.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 323.598g/mol |
| Monoisotopic Mass | 322.004g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number