| CAS Number | 1266114-30-0 |
| Catalog Number | AG01B7GL |
| Chemical Name | methyl 7-chloro-1H-indole-6-carboxylate |
| IUPAC Name | methyl 7-chloro-1H-indole-6-carboxylate |
| InChI | InChI=1S/C10H8ClNO2/c1-14-10(13)7-3-2-6-4-5-12-9(6)8(7)11/h2-5,12H,1H3 |
| InChI Key | ZQBUSCBNCSXBAK-UHFFFAOYSA-N |
| MDL Number | MFCD22689529 |
| Molecular Formula | C10H8ClNO2 |
| Molecular Weight | 209.6290 |
| SMILES | COC(C1=C(Cl)C2=C(C=CN2)C=C1)=O |
| Synonyms | methyl 7-chloro-1H-indole-6-carboxylate,
1266114-30-0,
SCHEMBL14559837,
ZQBUSCBNCSXBAK-UHFFFAOYSA-N,
ZINC89209066,
7-chloro-1H-indole-6-carboxylic acid methyl ester,
1h-indole-6-carboxylic acid,7-chloro-,methyl ester,
|
| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.629g/mol |
| Monoisotopic Mass | 209.024g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number