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14714-24-0 molecular structure
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6-chloroimidazo[1,2-b]pyridazine-2-carboxylic acid

ChemBase ID: 22117
Molecular Formular: C7H4ClN3O2
Molecular Mass: 197.57856
Monoisotopic Mass: 196.99920406
SMILES and InChIs

SMILES:
c1c(nn2c(c1)nc(c2)C(=O)O)Cl
Canonical SMILES:
Clc1ccc2n(n1)cc(n2)C(=O)O
InChI:
InChI=1S/C7H4ClN3O2/c8-5-1-2-6-9-4(7(12)13)3-11(6)10-5/h1-3H,(H,12,13)
InChIKey:
HTUZJYQXKFDVLT-UHFFFAOYSA-N

Cite this record

CBID:22117 http://www.chembase.cn/molecule-22117.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-chloroimidazo[1,2-b]pyridazine-2-carboxylic acid
IUPAC Traditional name
6-chloroimidazo[1,2-b]pyridazine-2-carboxylic acid
Synonyms
2-Carboxy-6-chloroimidazo[1,2-b]pyridazine
6-Chloro-imidazo[1,2-b]pyridazine-2-carboxylic Acid
6-Chloroimidazo[1,2-b]pyridazine-2-carboxylic acid
CAS Number
14714-24-0
MDL Number
MFCD04974055
PubChem SID
160985424
PubChem CID
2794637

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.1936176  H Acceptors
H Donor LogD (pH = 5.5) -0.7959352 
LogD (pH = 7.4) -1.9318736  Log P 1.5206277 
Molar Refractivity 56.5239 cm3 Polarizability 16.858238 Å3
Polar Surface Area 67.49 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
DMF expand Show data source
DMSO expand Show data source
Apperance
Beige Solid expand Show data source
Melting Point
>260°C (dec.) expand Show data source
253-255°C expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
90% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - C366900 external link
A pyridazine derivatives having antihistaminic or eosinophil chemotaxis-inhibiting activity.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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