| CAS Number | 1190198-13-0 |
| Catalog Number | AG00ISXB(AGN-PC-0WB039) |
| Chemical Name | Methyl 7-(benzyloxy)-1H-indole-5-carboxylate |
| IUPAC Name | methyl 7-phenylmethoxy-1H-indole-5-carboxylate |
| InChI | InChI=1S/C17H15NO3/c1-20-17(19)14-9-13-7-8-18-16(13)15(10-14)21-11-12-5-3-2-4-6-12/h2-10,18H,11H2,1H3 |
| InChI Key | YIBLEJYPNQHEIQ-UHFFFAOYSA-N |
| MDL Number | MFCD12922683 |
| Molecular Formula | C17H15NO3 |
| Molecular Weight | 281.3059 |
| SMILES | O=C(OC)C2(=CC(OCC1(=CC=CC=C1))=C3(NC=CC3(=C2))) |
| Synonyms | methyl 7-(benzyloxy)-1H-indole-5-carboxylate,
1190198-13-0,
methylbenzyloxyindolecarboxylate,
SCHEMBL18009394,
CTK6I9463,
KS-000026KI,
MFCD12922683,
ZINC40564579,
AKOS005073005,
HD-0094,
RP15506,
AK-71197,
AJ-103476,
TR-065629,
|
| Complexity | 354 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.311g/mol |
| Monoisotopic Mass | 281.105g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 51.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number