| CAS Number | 1609373-98-9 |
| Catalog Number | AG01JHJF(AGN-PC-3H6E0C) |
| Chemical Name | 2-Methylbenzofuro[2,3-b]pyridin-8-yl trifluoromethanesulfonate |
| IUPAC Name | (2-methyl-[1]benzofuro[2,3-b]pyridin-8-yl) trifluoromethanesulfonate |
| InChI | InChI=1S/C13H8F3NO4S/c1-7-5-6-9-8-3-2-4-10(11(8)20-12(9)17-7)21-22(18,19)13(14,15)16/h2-6H,1H3 |
| InChI Key | IVBUSTUQAWHPIQ-UHFFFAOYSA-N |
| MDL Number | MFCD32633462 |
| Molecular Formula | C13H8F3NO4S |
| Molecular Weight | 331.2671 |
| SMILES | O=S(C(F)(F)F)(OC1=C2C(C3=CC=C(C)N=C3O2)=CC=C1)=O |
| Synonyms | 2-methylbenzofuro[2,3-b]pyridin-8-yl trifluoromethanesulfonate,
1609373-98-9,
SCHEMBL15673030,
IVBUSTUQAWHPIQ-UHFFFAOYSA-N,
OL10175,
CS-16322,
CS-0095293,
2-Methylbenzofuro [2,3-b]pyridine-8-yl trifluormethanesulfonate,
|
| Complexity | 518 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 331.012613g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 331.27g/mol |
| Monoisotopic Mass | 331.012613g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 77.8Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number