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63910-32-7 molecular structure
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3,4-dichloro-5-methoxypyridazine

ChemBase ID: 796191
Molecular Formular: C5H4Cl2N2O
Molecular Mass: 179.00406
Monoisotopic Mass: 177.97006812
SMILES and InChIs

SMILES:
n1nc(c(c(c1)OC)Cl)Cl
Canonical SMILES:
COc1cnnc(c1Cl)Cl
InChI:
InChI=1S/C5H4Cl2N2O/c1-10-3-2-8-9-5(7)4(3)6/h2H,1H3
InChIKey:
OVZWGIFIQJWITB-UHFFFAOYSA-N

Cite this record

CBID:796191 http://www.chembase.cn/molecule-796191.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3,4-dichloro-5-methoxypyridazine
IUPAC Traditional name
3,4-dichloro-5-methoxypyridazine
Synonyms
3,4-Dichloro-5-Methoxypyridazine
CAS Number
63910-32-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O1858 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O1858 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.0463827  LogD (pH = 7.4) 1.0463985 
Log P 1.0463988  Molar Refractivity 40.8985 cm3
Polarizability 15.123602 Å3 Polar Surface Area 35.01 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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