| CAS Number | 896906-11-9 |
| Catalog Number | AG00IFSR(AGN-PC-0WOK0X) |
| Chemical Name | 4-(chloromethyl)-N-cyclopentylbenzamide |
| IUPAC Name | 4-(chloromethyl)-N-cyclopentylbenzamide |
| InChI | InChI=1S/C13H16ClNO/c14-9-10-5-7-11(8-6-10)13(16)15-12-3-1-2-4-12/h5-8,12H,1-4,9H2,(H,15,16) |
| InChI Key | KVZQPMLXHYWPHF-UHFFFAOYSA-N |
| MDL Number | MFCD02826241 |
| Molecular Formula | C13H16ClNO |
| Molecular Weight | 237.7252 |
| SMILES | ClCc1ccc(cc1)C(=O)NC1CCCC1 |
| Synonyms | 4-(chloromethyl)-N-cyclopentylbenzamide,
896906-11-9,
4-Chloromethyl-N-cyclopentylbenzamide,
KM2861,
MFCD02826241,
ZINC34975416,
4-Chloromethyl-N-cyclopentylbenzamide, 97%,
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| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.727g/mol |
| Monoisotopic Mass | 237.092g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
Lot Number