| CAS Number | 847744-31-4 |
| Catalog Number | AG019OF3 |
| Chemical Name | 2-chloro-N-[(4-methylphenyl)(thiophen-2-yl)methyl]acetamide |
| IUPAC Name | 2-chloro-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide |
| InChI | InChI=1S/C14H14ClNOS/c1-10-4-6-11(7-5-10)14(16-13(17)9-15)12-3-2-8-18-12/h2-8,14H,9H2,1H3,(H,16,17) |
| InChI Key | UHTADWORDHCHCG-UHFFFAOYSA-N |
| MDL Number | MFCD07323639 |
| Molecular Formula | C14H14ClNOS |
| Molecular Weight | 279.7851 |
| SMILES | CC1=CC=C(C(C2SC=CC=2)NC(CCl)=O)C=C1 |
| Synonyms | 2-chloro-N-[(4-methylphenyl)(thiophen-2-yl)methyl]acetamide,
847744-31-4,
2-chloro-N-[(4-methylphenyl)(thien-2-yl)methyl]acetamide,
AC1NLQXN,
AC1Q2JXM,
CTK6H5272,
AKOS008048945,
MCULE-5011017648,
NE19575,
EN300-13784,
SR-01000071137,
SR-01000071137-1,
2-chloro-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide,
ZINC04206999,
CID4962646,
|
| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.782g/mol |
| Monoisotopic Mass | 279.048g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 57.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number