| CAS Number | 123944-75-2 |
| Catalog Number | AG00HHFK |
| Chemical Name | 3-(Chloromethyl)-N-methylbenzamide |
| IUPAC Name | 3-(chloromethyl)-N-methylbenzamide |
| InChI | InChI=1S/C9H10ClNO/c1-11-9(12)8-4-2-3-7(5-8)6-10/h2-5H,6H2,1H3,(H,11,12) |
| InChI Key | WYPCLKWDXUSOEN-UHFFFAOYSA-N |
| MDL Number | MFCD11208364 |
| Molecular Formula | C9H10ClNO |
| Molecular Weight | 183.6348 |
| SMILES | CNC(=O)c1cccc(c1)CCl |
| Synonyms | 3-(chloromethyl)-N-methylbenzamide,
123944-75-2,
SCHEMBL246858,
3-Chloromethyl-N-methylbenzamide,
WYPCLKWDXUSOEN-UHFFFAOYSA-N,
N-Methyl-3-(chloromethyl)benzamide,
3-(chloromethyl)-N-methyl-benzamide,
ZINC36929930,
NE36111,
Benzamide, 3-(chloromethyl)-N-methyl-,
3-(Chloromethyl)-N-methylbenzenecarboxamide,
EN300-76708,
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| Complexity | 161 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.635g/mol |
| Monoisotopic Mass | 183.045g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number