| CAS Number | 1354707-41-7 |
| Catalog Number | AG01EOE7(AGN-PC-3H46CA) |
| Chemical Name | Mitochonic acid 5 |
| IUPAC Name | 4-(2,4-difluorophenyl)-2-(1H-indol-3-yl)-4-oxobutanoic acid |
| InChI | InChI=1S/C18H13F2NO3/c19-10-5-6-12(15(20)7-10)17(22)8-13(18(23)24)14-9-21-16-4-2-1-3-11(14)16/h1-7,9,13,21H,8H2,(H,23,24) |
| InChI Key | BOKQALWNGNLTOC-UHFFFAOYSA-N |
| MDL Number | MFCD31657404 |
| Molecular Formula | C18H13F2NO3 |
| Molecular Weight | 329.2975 |
| SMILES | FC1=C(C=CC(=C1)F)C(CC(C(=O)O)C1=CNC2=CC=CC=C12)=O |
| Synonyms | 4-(2,4-difluorophenyl)-2-(1H-indol-3-yl)-4-oxobutanoic acid,
mitochonic acid 5,
Mitochonic acid 5,
1354707-41-7,
SCHEMBL15747705,
BOKQALWNGNLTOC-UHFFFAOYSA-N,
HY-111536,
CS-0043233,
4-(2,4-difluorophenyl)-2-(1H-indol-3-yl)-4-oxo-butanoic acid,
4-(2,4-Difluorophenyl)-2-(1H-indole-3-yl)-4-oxobutanoic acid,
|
| Complexity | 487 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 329.086g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 329.303g/mol |
| Monoisotopic Mass | 329.086g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 70.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number