| CAS Number | 898379-45-8 |
| Catalog Number | AG019URB |
| Chemical Name | 2-(5-bromothiophen-2-yl)imidazo[1,2-a]pyridine-3-carbaldehyde |
| IUPAC Name | 2-(5-bromothiophen-2-yl)imidazo[1,2-a]pyridine-3-carbaldehyde |
| InChI | InChI=1S/C12H7BrN2OS/c13-10-5-4-9(17-10)12-8(7-16)15-6-2-1-3-11(15)14-12/h1-7H |
| InChI Key | VPZSQUJYQITRNL-UHFFFAOYSA-N |
| MDL Number | MFCD05177443 |
| Molecular Formula | C12H7BrN2OS |
| Molecular Weight | 307.1658 |
| SMILES | BrC1SC(C2=C(C=O)N3C(C=CC=C3)=N2)=CC=1 |
| Synonyms | 2-(5-bromothiophen-2-yl)imidazo[1,2-a]pyridine-3-carbaldehyde,
898379-45-8,
AC1Q250Y,
CTK7H8237,
ZINC6849793,
AKOS000122730,
MCULE-2741907826,
NE28491,
EN300-42596,
|
| Complexity | 304 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 305.946g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 307.165g/mol |
| Monoisotopic Mass | 305.946g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 62.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
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Certificate of Analysis
Lot Number