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1245643-70-2 molecular structure
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5-chloropyridazin-4-ol

ChemBase ID: 796778
Molecular Formular: C4H3ClN2O
Molecular Mass: 130.53242
Monoisotopic Mass: 129.99339041
SMILES and InChIs

SMILES:
n1ncc(c(c1)Cl)O
Canonical SMILES:
Oc1cnncc1Cl
InChI:
InChI=1S/C4H3ClN2O/c5-3-1-6-7-2-4(3)8/h1-2H,(H,6,8)
InChIKey:
GJPQSWZLTVFMDU-UHFFFAOYSA-N

Cite this record

CBID:796778 http://www.chembase.cn/molecule-796778.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-chloropyridazin-4-ol
IUPAC Traditional name
5-chloropyridazin-4-ol
Synonyms
5-Chloropyridazin-4-ol
CAS Number
1245643-70-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O4286 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O4286 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 7.731151  H Acceptors
H Donor LogD (pH = 5.5) 0.073155545 
LogD (pH = 7.4) -0.084979184  Log P 0.07628279 
Molar Refractivity 30.5501 cm3 Polarizability 11.172229 Å3
Polar Surface Area 46.01 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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