| CAS Number | 1424939-65-0 |
| Catalog Number | AG00IWVF(AGN-PC-0WB04V) |
| Chemical Name | Methyl N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]carbamate |
| IUPAC Name | methyl N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]carbamate |
| InChI | InChI=1S/C13H16Cl3NO3/c1-3-4-17(13(18)19-2)5-6-20-12-10(15)7-9(14)8-11(12)16/h7-8H,3-6H2,1-2H3 |
| InChI Key | HFMWQXNBQUMFSZ-UHFFFAOYSA-N |
| MDL Number | MFCD23699360 |
| Molecular Formula | C13H16Cl3NO3 |
| Molecular Weight | 340.6300 |
| SMILES | CCCN(C(OC)=O)CCOC1=C(Cl)C=C(Cl)C=C1Cl |
| Synonyms | methyl N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]carbamate,
1424939-65-0,
KS-000026MS,
AKOS030253340,
ZINC169800796,
HF-0143,
OR311126,
|
| Complexity | 295 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 339.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 340.625g/mol |
| Monoisotopic Mass | 339.02g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 38.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number