| CAS Number | 1431434-22-8 |
| Catalog Number | AG019EVU(AGN-PC-0WG4B4) |
| Chemical Name | ethyl N-[5-bromo-2-(6-fluoropyridine-3-carbonyl)-1-benzofuran-3-yl]-N-(3-methoxypropyl)carbamate |
| IUPAC Name | ethyl N-[5-bromo-2-(6-fluoropyridine-3-carbonyl)-1-benzofuran-3-yl]-N-(3-methoxypropyl)carbamate |
| InChI | InChI=1S/C21H20BrFN2O5/c1-3-29-21(27)25(9-4-10-28-2)18-15-11-14(22)6-7-16(15)30-20(18)19(26)13-5-8-17(23)24-12-13/h5-8,11-12H,3-4,9-10H2,1-2H3 |
| InChI Key | AOEJTFSCOHKZIQ-UHFFFAOYSA-N |
| MDL Number | MFCD30471769 |
| Molecular Formula | C21H20BrFN2O5 |
| Molecular Weight | 479.2963 |
| SMILES | CCOC(=O)N(CCCOC)c1c(oc2ccc(Br)cc12)C(=O)c1ccc(F)nc1 |
| Synonyms | ETHYL (5-BROMO-2-(6-FLUORONICOTINOYL)BENZOFURAN-3-YL)(3-METHOXYPROPYL)CARBAMATE,
1431434-22-8,
MFCD30471769,
AKOS030628057,
ZINC498050469,
CS-0037276,
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| Complexity | 598 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 478.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 479.302g/mol |
| Monoisotopic Mass | 478.054g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 81.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number