| CAS Number | 1227572-66-8 |
| Catalog Number | AG009EYC(AGN-PC-0WR0KG) |
| Chemical Name | 4-Bromo-3-formyl-7-methoxy-1H-indole |
| IUPAC Name | 4-bromo-7-methoxy-1H-indole-3-carbaldehyde |
| InChI | InChI=1S/C10H8BrNO2/c1-14-8-3-2-7(11)9-6(5-13)4-12-10(8)9/h2-5,12H,1H3 |
| InChI Key | XJUSGSRSWYVEHW-UHFFFAOYSA-N |
| MDL Number | MFCD16610097 |
| Molecular Formula | C10H8BrNO2 |
| Molecular Weight | 254.08 |
| SMILES | COc1ccc(c2c1[nH]cc2C=O)Br |
| Synonyms | 1227572-66-8,
4-Bromo-3-formyl-7-methoxy-1H-indole,
4-Bromo-7-methoxy-1H-indole-3-carbaldehyde,
ZINC95616357,
4-Bromo-7-methoxyindole-3-carboxaldehyde,
C-0446,
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.97384g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.08g/mol |
| Monoisotopic Mass | 252.97384g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.1Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number