| CAS Number | 790681-72-0 |
| Catalog Number | AG00G3WB |
| Chemical Name | 2-chloro-1-{1-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}ethan-1-one |
| IUPAC Name | 2-chloro-1-[1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]ethanone |
| InChI | InChI=1S/C15H15ClFNO/c1-10-7-14(15(19)8-16)11(2)18(10)9-12-3-5-13(17)6-4-12/h3-7H,8-9H2,1-2H3 |
| InChI Key | WYOAGEYXJGUMDR-UHFFFAOYSA-N |
| MDL Number | MFCD06358661 |
| Molecular Formula | C15H15ClFNO |
| Molecular Weight | 279.7371 |
| SMILES | O=C(C1=C(C)N(CC2=CC=C(F)C=C2)C(C)=C1)CCl |
| Synonyms | 2-chloro-1-[1-(4-fluorobenzyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethanone,
790681-72-0,
2-chloro-1-{1-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}ethan-1-one,
AC1M8PBL,
AC1Q2HMU,
CTK6H4668,
ZINC3399197,
AKOS000343422,
MCULE-3781911616,
NE20507,
EN300-11077,
SR-01000058950,
J-508601,
SR-01000058950-1,
2-chloro-1-[1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]ethanone,
ZINC03399197,
CID2517715,
|
| Complexity | 317 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.083g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.739g/mol |
| Monoisotopic Mass | 279.083g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 22A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number