| CAS Number | 320420-77-7 |
| Catalog Number | AG00IXFR(AGN-PC-0WAREP) |
| Chemical Name | 5-Methyl-1-(3-(trifluoromethyl)benzyl)indoline-2,3-dione |
| IUPAC Name | 5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2,3-dione |
| InChI | InChI=1S/C17H12F3NO2/c1-10-5-6-14-13(7-10)15(22)16(23)21(14)9-11-3-2-4-12(8-11)17(18,19)20/h2-8H,9H2,1H3 |
| InChI Key | MAHDJSVPOKRTDT-UHFFFAOYSA-N |
| MDL Number | MFCD00141748 |
| Molecular Formula | C17H12F3NO2 |
| Molecular Weight | 319.2779 |
| SMILES | O=C1N(CC2=CC=CC(C(F)(F)F)=C2)C3=C(C=C(C)C=C3)C1=O |
| Synonyms | 320420-77-7,
5-methyl-1-[3-(trifluoromethyl)benzyl]-1H-indole-2,3-dione,
5-methyl-1-{[3-(trifluoromethyl)phenyl]methyl}-2,3-dihydro-1H-indole-2,3-dione,
AC1MZJ2T,
KS-00001TH5,
ZINC3064290,
AKOS005082174,
1G-306S,
MCULE-7643434351,
5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2,3-dione,
ZINC03064290,
CID3848839,
|
| Complexity | 491 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 319.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 319.283g/mol |
| Monoisotopic Mass | 319.082g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number