| CAS Number | 885524-97-0 |
| Catalog Number | AG019OSL |
| Chemical Name | 4-(difluoromethoxy)-5-methoxy-1H-indole-2-carboxylic Acid |
| IUPAC Name | 4-(difluoromethoxy)-5-methoxy-1H-indole-2-carboxylic acid |
| InChI | InChI=1S/C11H9F2NO4/c1-17-8-3-2-6-5(9(8)18-11(12)13)4-7(14-6)10(15)16/h2-4,11,14H,1H3,(H,15,16) |
| InChI Key | KPONUKNKUYUEGQ-UHFFFAOYSA-N |
| MDL Number | MFCD08271775 |
| Molecular Formula | C11H9F2NO4 |
| Molecular Weight | 257.1903 |
| SMILES | COC1=C(OC(F)F)C2=C(NC(C(O)=O)=C2)C=C1 |
| Synonyms | 4-(difluoromethoxy)-5-methoxy-1H-indole-2-carboxylic Acid,
885524-97-0,
AC1OFL9O,
AC1Q4DVN,
CTK7A8609,
ZINC4218754,
AKOS008064235,
MCULE-7172201420,
NE36938,
EN300-15114,
Z235281455,
CID7131356,
|
| Complexity | 315 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.193g/mol |
| Monoisotopic Mass | 257.05g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 71.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number