Cinnolin-4-ol hydrochloride
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Basic information
- CAS
667467-64-3- Standard SMILES
Cl.Oc1cnnc2ccccc12- InChIKey
IXFUYHPVZIEHDZ-UHFFFAOYSA-N- Molecular formula
- C8H7ClN2O
- Average molar mass
- 182.61 g/mol
- Monoisotopic mass
- 182.0246905
Names & identifiers
- Preferred name
- Cinnolin-4-ol hydrochloride
- IUPAC
- 1H-cinnolin-4-one;hydrochloride
- English name
- CINNOLIN-4-OL HYDROCHLORIDE
- Molecular formula
- C8H7ClN2O
- Molecular weight
- 182.61
Names & synonyms
cinnolin-4-ol hydrochloride667467-64-31H-cinnolin-4-one;hydrochlorideSMR0003707014-Cinnolinol hydrochloridecinnolin-4-olhydrochlorideSCHEMBL4864194CHEMBL1600929IXFUYHPVZIEHDZ-UHFFFAOYSA-NAKOS026726947EN300-14627Z104495104
Show more names
4-Cinnolinol,hydrochloride(1:1)
Database identifiers
- CAS
667467-64-3- PubChem CID
- 16196864
- ChEMBL
CHEMBL1600929
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 200
Experimental & physicochemical properties
Solubility>27.4 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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