| CAS Number | 1782640-77-0 |
| Catalog Number | AG01DTBP |
| Chemical Name | 6-chloro-4-methoxy-1H-indole-2-carboxylic acid |
| IUPAC Name | 6-chloro-4-methoxy-1H-indole-2-carboxylic acid |
| InChI | InChI=1S/C10H8ClNO3/c1-15-9-3-5(11)2-7-6(9)4-8(12-7)10(13)14/h2-4,12H,1H3,(H,13,14) |
| InChI Key | XWTMCWOYEZEPKU-UHFFFAOYSA-N |
| MDL Number | MFCD31559639 |
| Molecular Formula | C10H8ClNO3 |
| Molecular Weight | 225.6284 |
| SMILES | COC1=C2C(NC(C(O)=O)=C2)=CC(Cl)=C1 |
| Synonyms | 6-chloro-4-methoxy-1H-indole-2-carboxylic acid,
1782640-77-0,
AKOS023566085,
|
| Complexity | 261 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.628g/mol |
| Monoisotopic Mass | 225.019g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 62.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number