| CAS Number | 499983-78-7 |
| Catalog Number | AG01B5DD(AGN-PC-007PDA) |
| Chemical Name | 3-bromo-1-methyl-1H-indole-2-carbaldehyde |
| IUPAC Name | 3-bromo-1-methylindole-2-carbaldehyde |
| InChI | InChI=1S/C10H8BrNO/c1-12-8-5-3-2-4-7(8)10(11)9(12)6-13/h2-6H,1H3 |
| InChI Key | XPLPNQFLFWXQRC-UHFFFAOYSA-N |
| MDL Number | MFCD12402547 |
| Molecular Formula | C10H8BrNO |
| Molecular Weight | 238.0806 |
| SMILES | CN1C2=C(C=CC=C2)C(Br)=C1C=O |
| Synonyms | 3-bromo-1-methyl-1H-indole-2-carbaldehyde,
499983-78-7,
SCHEMBL14222653,
ZINC34511211,
1-Methyl-3-bromo-1H-indole-2-carbaldehyde,
3-bromo-1-methyl-indole-2-carbaldehyde,
CID11368396,
N/A,
|
| Complexity | 209 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.084g/mol |
| Monoisotopic Mass | 236.979g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 22A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number