| CAS Number | 885460-69-5 |
| Catalog Number | AG00IF5Z(AGN-PC-0WR4IO) |
| Chemical Name | 2-chloro-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide |
| IUPAC Name | 2-chloro-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide |
| InChI | InChI=1S/C12H13ClF3NO2/c1-2-5-19-10-4-3-8(12(14,15)16)6-9(10)17-11(18)7-13/h3-4,6H,2,5,7H2,1H3,(H,17,18) |
| InChI Key | NWGXJXXLBKIOOQ-UHFFFAOYSA-N |
| MDL Number | MFCD06655051 |
| Molecular Formula | C12H13ClF3NO2 |
| Molecular Weight | 295.6853 |
| SMILES | CCCOC1=C(NC(CCl)=O)C=C(C(F)(F)F)C=C1 |
| Synonyms | 2-chloro-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide,
885460-69-5,
EN300-10484,
ZINC03888140,
CID4656638,
AC1NFD0W,
AC1Q2YBU,
CTK6E6096,
ZINC3888140,
MFCD06655051,
AKOS008024538,
MCULE-7673060836,
NE59920,
|
| Complexity | 299 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 295.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 295.686g/mol |
| Monoisotopic Mass | 295.059g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number