| CAS Number | 1393441-90-1 |
| Catalog Number | AG009WRH(AGN-PC-0WNWPP) |
| Chemical Name | 1-(3,4-Dichlorophenyl)cyclopentane-1-carboxamide |
| IUPAC Name | 1-(3,4-dichlorophenyl)cyclopentane-1-carboxamide |
| InChI | InChI=1S/C12H13Cl2NO/c13-9-4-3-8(7-10(9)14)12(11(15)16)5-1-2-6-12/h3-4,7H,1-2,5-6H2,(H2,15,16) |
| InChI Key | JCQBZQLOPIVNEN-UHFFFAOYSA-N |
| MDL Number | MFCD22383684 |
| Molecular Formula | C12H13Cl2NO |
| Molecular Weight | 258.1437 |
| SMILES | NC(=O)C1(CCCC1)c1ccc(c(c1)Cl)Cl |
| Synonyms | 1-(3,4-dichlorophenyl)cyclopentane-1-carboxamide,
1393441-90-1,
SCHEMBL8242396,
ZINC95495540,
AKOS026673168,
CJ-22691,
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| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.037g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.142g/mol |
| Monoisotopic Mass | 257.037g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Certificate of Analysis
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