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660425-07-0 molecular structure
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5-chloropyridazin-3-ol

ChemBase ID: 802495
Molecular Formular: C4H3ClN2O
Molecular Mass: 130.53242
Monoisotopic Mass: 129.99339041
SMILES and InChIs

SMILES:
n1nc(cc(c1)Cl)O
Canonical SMILES:
Clc1cnnc(c1)O
InChI:
InChI=1S/C4H3ClN2O/c5-3-1-4(8)7-6-2-3/h1-2H,(H,7,8)
InChIKey:
NHMLZGFOEYLZEN-UHFFFAOYSA-N

Cite this record

CBID:802495 http://www.chembase.cn/molecule-802495.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-chloropyridazin-3-ol
IUPAC Traditional name
5-chloropyridazin-3-ol
Synonyms
5-CHLOROPYRIDAZIN-3-OL
CAS Number
660425-07-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O18979 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O18979 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 6.9512076  H Acceptors
H Donor LogD (pH = 5.5) 0.65586126 
LogD (pH = 7.4) 0.10770452  Log P 0.6707403 
Molar Refractivity 30.8636 cm3 Polarizability 11.162705 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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