| CAS Number | 725710-57-6 |
| Catalog Number | AG019IZQ |
| Chemical Name | 2-chloro-1-{1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}ethan-1-one |
| IUPAC Name | 2-chloro-1-[1-[4-(difluoromethoxy)phenyl]-2,5-dimethylpyrrol-3-yl]ethanone |
| InChI | InChI=1S/C15H14ClF2NO2/c1-9-7-13(14(20)8-16)10(2)19(9)11-3-5-12(6-4-11)21-15(17)18/h3-7,15H,8H2,1-2H3 |
| InChI Key | ICGCMBPKQRXGBJ-UHFFFAOYSA-N |
| MDL Number | MFCD03961619 |
| Molecular Formula | C15H14ClF2NO2 |
| Molecular Weight | 313.7270 |
| SMILES | CC1N(C2=CC=C(OC(F)F)C=C2)C(C)=C(C(CCl)=O)C=1 |
| Synonyms | 725710-57-6,
2-chloro-1-{1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}ethan-1-one,
2-chloro-1-{1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}ethanone,
2-Chloro-1-(1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl)ethan-1-one,
AC1Q2HMA,
AC1M5GS6,
CTK6H4634,
ZINC3261563,
MFCD03961619,
AKOS000117868,
MCULE-1193367850,
NE29171,
EN300-08221,
2-chloro-1-[1-[4-(difluoromethoxy)phenyl]-2,5-dimethylpyrrol-3-yl]ethanone,
ZINC03261563,
CID2378274,
|
| Complexity | 362 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 313.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 313.729g/mol |
| Monoisotopic Mass | 313.068g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 31.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number