| CAS Number | 89585-53-5 |
| Catalog Number | AG00GVM0(AGN-PC-0KSA5F) |
| Chemical Name | 3-chloro-N-methyl-N-phenylpropanamide |
| IUPAC Name | 3-chloro-N-methyl-N-phenylpropanamide |
| InChI | InChI=1S/C10H12ClNO/c1-12(10(13)7-8-11)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3 |
| InChI Key | ZOZNUSUQHMUWGY-UHFFFAOYSA-N |
| MDL Number | MFCD02973802 |
| Molecular Formula | C10H12ClNO |
| Molecular Weight | 197.6614 |
| SMILES | CN(C1=CC=CC=C1)C(CCCl)=O |
| Synonyms | 3-chloro-N-methyl-N-phenylpropanamide,
89585-53-5,
AC1MO4AL,
SCHEMBL1239045,
ZOZNUSUQHMUWGY-UHFFFAOYSA-N,
ZINC6625553,
MFCD02973802,
AKOS000149368,
3-chloro-N-methyl-N-phenylpropionamide,
AJ-56434,
Propanamide, 3-chloro-N-methyl-N-phenyl-,
W-9903,
3-chloro-N-methyl-N-phenyl-propanamide,
CID3314386,
|
| Complexity | 166 |
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.662g/mol |
| Monoisotopic Mass | 197.061g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number