| CAS Number | 756859-01-5 |
| Catalog Number | AG00ICNO(AGN-PC-0WR4HS) |
| Chemical Name | N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide |
| IUPAC Name | N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide |
| InChI | InChI=1S/C13H13ClN2OS/c1-9-4-3-5-12(6-9)16(10(2)17)13-15-11(7-14)8-18-13/h3-6,8H,7H2,1-2H3 |
| InChI Key | ROENKKPAMXVNKV-UHFFFAOYSA-N |
| MDL Number | MFCD06341990 |
| Molecular Formula | C13H13ClN2OS |
| Molecular Weight | 280.7731 |
| SMILES | CC(N(C1=CC(C)=CC=C1)C1SC=C(CCl)N=1)=O |
| Synonyms | N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide,
756859-01-5,
AC1M0MA3,
AC1Q1K7V,
CTK6H6822,
ZINC2617548,
MFCD06341990,
STL302011,
AKOS005199176,
MCULE-7236932227,
NE58011,
EN300-10199,
ZINC02617548,
CID2079397,
|
| Complexity | 303 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.77g/mol |
| Monoisotopic Mass | 280.044g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 61.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number