| CAS Number | 78710-37-9 |
| Catalog Number | AG01AHFC |
| Chemical Name | 2-Chloro-N-[(3-methylphenyl)methyl]acetamide |
| IUPAC Name | 2-chloro-N-[(3-methylphenyl)methyl]acetamide |
| InChI | InChI=1S/C10H12ClNO/c1-8-3-2-4-9(5-8)7-12-10(13)6-11/h2-5H,6-7H2,1H3,(H,12,13) |
| InChI Key | YACHHHNXLZEYKL-UHFFFAOYSA-N |
| MDL Number | MFCD12766396 |
| Molecular Formula | C10H12ClNO |
| Molecular Weight | 197.6614 |
| SMILES | CC1=CC(CNC(CCl)=O)=CC=C1 |
| Synonyms | 2-chloro-N-[(3-methylphenyl)methyl]acetamide,
78710-37-9,
2-chloro-N-(3-methylbenzyl)acetamide,
SCHEMBL3705128,
BBL019731,
MFCD12766396,
STL194104,
ZINC37719179,
AKOS004897028,
MCULE-1300615382,
H5512,
ST51066297,
EN300-74507,
Z1562122756,
acetamide, 2-chloro-n-[(3-methylphenyl)methyl]-,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.662g/mol |
| Monoisotopic Mass | 197.061g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number