| CAS Number | 1257847-81-6 |
| Catalog Number | AG019ROX(AGN-PC-0WOA3Y) |
| Chemical Name | Methyl 3-iodo-1H-indole-5-carboxylate |
| IUPAC Name | methyl 3-iodo-1H-indole-5-carboxylate |
| InChI | InChI=1S/C10H8INO2/c1-14-10(13)6-2-3-9-7(4-6)8(11)5-12-9/h2-5,12H,1H3 |
| InChI Key | IZPCAXPMBYCTFR-UHFFFAOYSA-N |
| MDL Number | MFCD18089659 |
| Molecular Formula | C10H8INO2 |
| Molecular Weight | 301.0805 |
| SMILES | O=C(C1=CC2=C(NC=C2I)C=C1)OC |
| Synonyms | methyl 3-iodo-1H-indole-5-carboxylate,
1257847-81-6,
AC1Q43NV,
1H-Indole-5-carboxylic acid, 3-iodo-, methyl ester,
SCHEMBL9904829,
IZPCAXPMBYCTFR-UHFFFAOYSA-N,
ZINC58041733,
AKOS026729336,
EN300-90094,
Z1157651608,
|
| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 300.96g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 301.083g/mol |
| Monoisotopic Mass | 300.96g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number