| CAS Number | 111083-32-0 |
| Catalog Number | AG0082WR(AGN-PC-05W5X0) |
| Chemical Name | 6-Bromo-5-methoxy-1,2-dimethyl-1H-indole-3-carbaldehyde |
| IUPAC Name | 6-bromo-5-methoxy-1,2-dimethylindole-3-carbaldehyde |
| InChI | InChI=1S/C12H12BrNO2/c1-7-9(6-15)8-4-12(16-3)10(13)5-11(8)14(7)2/h4-6H,1-3H3 |
| InChI Key | XTMHKTBAZOISCV-UHFFFAOYSA-N |
| MDL Number | MFCD05864564 |
| Molecular Formula | C12H12BrNO2 |
| Molecular Weight | 282.1332 |
| SMILES | N1(C)C(C)=C(C2C=C(OC)C(Br)=CC1=2)C=O |
| Synonyms | 6-Bromo-5-Methoxy-1,2-Dimethyl-1H-Indole-3-Carbaldehyde,
111083-32-0,
AC1Q4EVV,
SCHEMBL14519080,
CTK4A7176,
DTXSID50654294,
ZINC2559712,
ZX-CM014755,
MFCD05864564,
AKOS027390885,
FT-0755019,
Y-1959,
1,2-dimethyl-3-formyl-5-methoxy-6-bromoindole,
XTMHKTBAZOISCV-UHFFFAOYSA-N,
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| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.137g/mol |
| Monoisotopic Mass | 281.005g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 31.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number