| CAS Number | 1260382-91-9 |
| Catalog Number | AG009G8C(AGN-PC-0WAO7B) |
| Chemical Name | 5-Chloro-1h-pyrrolo[2,3-b]pyridine-6-carbaldehyde |
| IUPAC Name | 5-chloro-1H-pyrrolo[2,3-b]pyridine-6-carbaldehyde |
| InChI | InChI=1S/C8H5ClN2O/c9-6-3-5-1-2-10-8(5)11-7(6)4-12/h1-4H,(H,10,11) |
| InChI Key | KQSYUIOGXLJFIY-UHFFFAOYSA-N |
| MDL Number | MFCD18374132 |
| Molecular Formula | C8H5ClN2O |
| Molecular Weight | 180.5911 |
| SMILES | O=Cc1nc2[nH]ccc2cc1Cl |
| Synonyms | 5-Chloro-1H-pyrrolo[2,3-b]pyridine-6-carbaldehyde,
1260382-91-9,
AC1Q3HJM,
CTK7I0548,
5-Chloro-7-azaindole-6-carbaldehyde,
MFCD18374132,
ZINC66054297,
AKOS015850524,
CJ-21232,
TR-072277,
Z9026,
5-Chloro-1H-pyrrolo[2,3-b]pyridine-6-carbaldehyde, AldrichCPR,
C8H5ClN2O,
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| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.591g/mol |
| Monoisotopic Mass | 180.009g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
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