| CAS Number | 742118-86-1 |
| Catalog Number | AG00ICHY(AGN-PC-0WQYFM) |
| Chemical Name | 2-chloro-1-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)propan-1-one |
| IUPAC Name | 2-chloro-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)propan-1-one |
| InChI | InChI=1S/C15H16ClNO/c1-10-9-14(15(18)11(2)16)12(3)17(10)13-7-5-4-6-8-13/h4-9,11H,1-3H3 |
| InChI Key | JZNKVNMEXHKRJL-UHFFFAOYSA-N |
| MDL Number | MFCD05261906 |
| Molecular Formula | C15H16ClNO |
| Molecular Weight | 261.7466 |
| SMILES | CC(C(C1=C(C)N(C2=CC=CC=C2)C(C)=C1)=O)Cl |
| Synonyms | 2-chloro-1-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)propan-1-one,
742118-86-1,
AC1MVLAZ,
AC1Q1R35,
CTK7F6068,
MFCD05261906,
AKOS008964951,
MCULE-3606711609,
NE59833,
EN300-08889,
SR-01000050195,
SR-01000050195-1,
2-chloro-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)propan-1-one,
ZINC02615921,
CID3685054,
|
| Complexity | 301 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.749g/mol |
| Monoisotopic Mass | 261.092g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 22A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number