| CAS Number | 1150618-34-0 |
| Catalog Number | AG01FOSF(AGN-PC-05VCEQ) |
| Chemical Name | 3-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine |
| IUPAC Name | 3-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine |
| InChI | InChI=1S/C8H7F3N2/c9-8(10,11)6-4-13-7-5(6)2-1-3-12-7/h1-3,6H,4H2,(H,12,13) |
| InChI Key | XBAYNABCHREZEZ-UHFFFAOYSA-N |
| MDL Number | MFCD12024501 |
| Molecular Formula | C8H7F3N2 |
| Molecular Weight | 188.1498 |
| SMILES | FC(C1CNc2c1cccn2)(F)F |
| Synonyms | 3-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine,
1150618-34-0,
DTXSID40654960,
AKOS015919240,
CS-W018355,
SC-67050,
FT-0652168,
A803354,
S11-0010,
3-(TRIFLUOROMETHYL)-2,3-DIHYDRO-1H-PYRROLO[2,3-B]P,
|
| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.153g/mol |
| Monoisotopic Mass | 188.056g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 24.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number