| CAS Number | 1235440-23-9 |
| Catalog Number | AG01A85U |
| Chemical Name | 2-Chloro-n-(3-[(pyridin-2-ylsulfanyl)methyl]phenyl)acetamide |
| IUPAC Name | 2-chloro-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide |
| InChI | InChI=1S/C14H13ClN2OS/c15-9-13(18)17-12-5-3-4-11(8-12)10-19-14-6-1-2-7-16-14/h1-8H,9-10H2,(H,17,18) |
| InChI Key | OYHVKCOATSONJM-UHFFFAOYSA-N |
| MDL Number | MFCD15209634 |
| Molecular Formula | C14H13ClN2OS |
| Molecular Weight | 292.7838 |
| SMILES | ClCC(NC1=CC(CSC2=NC=CC=C2)=CC=C1)=O |
| Synonyms | 2-chloro-N-{3-[(pyridin-2-ylsulfanyl)methyl]phenyl}acetamide,
1235440-23-9,
AC1Q3TJM,
CTK6H5593,
ZINC47843825,
AKOS033429362,
NE25027,
EN300-60800,
Z1562133944,
2-chloro-n-(3-[(pyridin-2-ylsulfanyl)methyl]phenyl)acetamide,
|
| Complexity | 291 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 292.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 292.781g/mol |
| Monoisotopic Mass | 292.044g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 67.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number