| CAS Number | 913181-73-4 |
| Catalog Number | AG01C32A(AGN-PC-0BU2BA) |
| Chemical Name | 1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid hydrochloride |
| IUPAC Name | 1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C8H6N2O2.ClH/c11-8(12)6-4-5-2-1-3-9-7(5)10-6;/h1-4H,(H,9,10)(H,11,12);1H |
| InChI Key | XJSYPYNMJNYOLJ-UHFFFAOYSA-N |
| MDL Number | MFCD18802855 |
| Molecular Formula | C8H7ClN2O2 |
| Molecular Weight | 198.6064 |
| SMILES | Cl.OC(C1NC2=C(C=CC=N2)C=1)=O |
| Synonyms | 1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid hydrochloride,
913181-73-4,
SCHEMBL1878102,
CTK8C3173,
DTXSID30726524,
XJSYPYNMJNYOLJ-UHFFFAOYSA-N,
5274AC,
ANW-69770,
AKOS016001610,
TC-158515,
ST24021406,
Z2512450948,
1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid--hydrogen chloride (1/1),
C8H7ClN2O2,
1H-Pyrrolo[2,3-b]pyridine-2-carboxylicacidhydrochloride,
|
| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.606g/mol |
| Monoisotopic Mass | 198.02g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number