| CAS Number | 327085-04-1 |
| Catalog Number | AG01A7OT |
| Chemical Name | 2-methyl-1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-indol-4-one |
| IUPAC Name | 2-methyl-1-[3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-indol-4-one |
| InChI | InChI=1S/C16H14F3NO/c1-10-8-13-14(6-3-7-15(13)21)20(10)12-5-2-4-11(9-12)16(17,18)19/h2,4-5,8-9H,3,6-7H2,1H3 |
| InChI Key | AKKHAWKRXWNILC-UHFFFAOYSA-N |
| MDL Number | MFCD02707507 |
| Molecular Formula | C16H14F3NO |
| Molecular Weight | 293.2837 |
| SMILES | CC1N(C2=CC(C(F)(F)F)=CC=C2)C2=C(C(CCC2)=O)C=1 |
| Synonyms | 2-methyl-1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-indol-4-one,
327085-04-1,
AC1M54YM,
AC1Q2O7N,
CTK7H3860,
ZINC3193534,
2-methyl-1-[3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-indol-4-one,
AKOS008966497,
MCULE-2285687415,
NE18818,
EN300-59389,
Z56790634,
CID2321980,
|
| Complexity | 409 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 293.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 293.289g/mol |
| Monoisotopic Mass | 293.103g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 22A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number