| CAS Number | 757192-82-8 |
| Catalog Number | AG00ICNW |
| Chemical Name | 2-chloro-1-{2,5-dimethyl-1-[4-(trifluoromethoxy)phenyl]-1H-pyrrol-3-yl}ethan-1-one |
| IUPAC Name | 2-chloro-1-[2,5-dimethyl-1-[4-(trifluoromethoxy)phenyl]pyrrol-3-yl]ethanone |
| InChI | InChI=1S/C15H13ClF3NO2/c1-9-7-13(14(21)8-16)10(2)20(9)11-3-5-12(6-4-11)22-15(17,18)19/h3-7H,8H2,1-2H3 |
| InChI Key | UQVBEDXCYXVVIU-UHFFFAOYSA-N |
| MDL Number | MFCD06340100 |
| Molecular Formula | C15H13ClF3NO2 |
| Molecular Weight | 331.7174 |
| SMILES | CC1N(C2=CC=C(OC(F)(F)F)C=C2)C(C)=C(C(CCl)=O)C=1 |
| Synonyms | 757192-82-8,
2-chloro-1-{2,5-dimethyl-1-[4-(trifluoromethoxy)phenyl]-1H-pyrrol-3-yl}ethan-1-one,
2-chloro-1-{2,5-dimethyl-1-[4-(trifluoromethoxy)phenyl]-1H-pyrrol-3-yl}ethanone,
2-Chloro-1-(2,5-dimethyl-1-[4-(trifluoromethoxy)phenyl]-1H-pyrrol-3-yl)ethanone,
AC1M1KHX,
AC1Q2HM8,
CTK6H4633,
ZINC2661422,
MFCD06340100,
2-chloro-1-[2,5-dimethyl-1-[4-(trifluoromethoxy)phenyl]pyrrol-3-yl]ethanone,
AKOS008030536,
MCULE-4887014636,
NE40285,
EN300-10152,
CID2125348,
|
| Complexity | 397 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 331.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 331.719g/mol |
| Monoisotopic Mass | 331.059g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 31.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number