| CAS Number | 732292-20-5 |
| Catalog Number | AG00ICDN |
| Chemical Name | 2-chloro-1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]propan-1-one |
| IUPAC Name | 2-chloro-1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]propan-1-one |
| InChI | InChI=1S/C15H15Cl2NO/c1-9-8-14(15(19)10(2)16)11(3)18(9)13-6-4-12(17)5-7-13/h4-8,10H,1-3H3 |
| InChI Key | SZZNSTBJQWYDFH-UHFFFAOYSA-N |
| MDL Number | MFCD04633475 |
| Molecular Formula | C15H15Cl2NO |
| Molecular Weight | 296.1917 |
| SMILES | CC(C(C1=C(C)N(C2=CC=C(Cl)C=C2)C(C)=C1)=O)Cl |
| Synonyms | 2-chloro-1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]propan-1-one,
732292-20-5,
AC1MWJW6,
AC1Q1R33,
CTK6H0392,
MFCD04633475,
AKOS001050048,
AKOS016881202,
MCULE-3548977909,
NE49704,
EN300-07721,
2-chloro-1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]propan-1-one,
ZINC03300995,
CID3800432,
|
| Complexity | 328 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 295.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 296.191g/mol |
| Monoisotopic Mass | 295.053g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 22A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number