| CAS Number | 1094431-64-7 |
| Catalog Number | AG00HBHV(AGN-PC-0WRA1S) |
| Chemical Name | 3-(chloromethyl)-N-ethylbenzamide |
| IUPAC Name | 3-(chloromethyl)-N-ethylbenzamide |
| InChI | InChI=1S/C10H12ClNO/c1-2-12-10(13)9-5-3-4-8(6-9)7-11/h3-6H,2,7H2,1H3,(H,12,13) |
| InChI Key | JGICYZUMDZPKIT-UHFFFAOYSA-N |
| MDL Number | MFCD11208367 |
| Molecular Formula | C10H12ClNO |
| Molecular Weight | 197.6614 |
| SMILES | CCNC(C1=CC(CCl)=CC=C1)=O |
| Synonyms | 3-(chloromethyl)-N-ethylbenzamide,
1094431-64-7,
ZINC36929932,
|
| 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
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number