| CAS Number | 896898-20-7 |
| Catalog Number | AG00IFSQ(AGN-PC-0WOK0W) |
| Chemical Name | 4-(Chloromethyl)-N-propylbenzamide |
| IUPAC Name | 4-(chloromethyl)-N-propylbenzamide |
| InChI | InChI=1S/C11H14ClNO/c1-2-7-13-11(14)10-5-3-9(8-12)4-6-10/h3-6H,2,7-8H2,1H3,(H,13,14) |
| InChI Key | SUZNLYSSYNJTGD-UHFFFAOYSA-N |
| MDL Number | MFCD02826029 |
| Molecular Formula | C11H14ClNO |
| Molecular Weight | 211.6880 |
| SMILES | CCCNC(=O)c1ccc(cc1)CCl |
| Synonyms | 4-(chloromethyl)-N-propylbenzamide,
896898-20-7,
4-(CHLOROMETHYL)-N-N-PROPYLBENZAMIDE,
KM2860,
MFCD02826029,
ZINC36929905,
4-(Chloromethyl)-N-n-propylbenzamide, 97%,
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| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.689g/mol |
| Monoisotopic Mass | 211.076g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number