| CAS Number | 923743-10-6 |
| Catalog Number | AG00GUD1 |
| Chemical Name | 2-Chloro-1-(2,5-dimethyl-1-(o-tolyl)-1H-pyrrol-3-yl)ethanone |
| IUPAC Name | 2-chloro-1-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]ethanone |
| InChI | InChI=1S/C15H16ClNO/c1-10-6-4-5-7-14(10)17-11(2)8-13(12(17)3)15(18)9-16/h4-8H,9H2,1-3H3 |
| InChI Key | QDQJDTSGEOOZQY-UHFFFAOYSA-N |
| MDL Number | MFCD08444935 |
| Molecular Formula | C15H16ClNO |
| Molecular Weight | 261.7466 |
| SMILES | O=C(C1=C(C)N(C2=CC=CC=C2C)C(C)=C1)CCl |
| Synonyms | 2-chloro-1-[2,5-dimethyl-1-(2-methylphenyl)-1H-pyrrol-3-yl]ethan-1-one,
923743-10-6,
2-CHLORO-1-[2,5-DIMETHYL-1-(2-METHYLPHENYL)-1H-PYRROL-3-YL]ETHANONE,
2-Chloro-1-(2,5-dimethyl-1-(o-tolyl)-1H-pyrrol-3-yl)ethanone,
AC1Q2HLR,
CTK6H4654,
ZINC9239680,
AKOS000343446,
MCULE-5793990404,
NE22311,
EN300-43729,
J-508604,
2-chloro-1-(2,5-dimethyl-1-o-tolyl-1H-pyrrol-3-yl)ethanone,
|
| Complexity | 307 |
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number