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68240-43-7 molecular structure
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4,6-dichloro-3-methylpyridazine

ChemBase ID: 71367
Molecular Formular: C5H4Cl2N2
Molecular Mass: 163.00466
Monoisotopic Mass: 161.9751535
SMILES and InChIs

SMILES:
c1(c(cc(nn1)Cl)Cl)C
Canonical SMILES:
Clc1nnc(c(c1)Cl)C
InChI:
InChI=1S/C5H4Cl2N2/c1-3-4(6)2-5(7)9-8-3/h2H,1H3
InChIKey:
SWLRTVHQASOVRZ-UHFFFAOYSA-N

Cite this record

CBID:71367 http://www.chembase.cn/molecule-71367.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4,6-dichloro-3-methylpyridazine
IUPAC Traditional name
4,6-dichloro-3-methylpyridazine
Synonyms
4,6-Dichloro-3-methylpyridazine
CAS Number
68240-43-7
MDL Number
MFCD21604745
PubChem SID
162036957
PubChem CID
58717049

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
076970 external link Add to cart Please log in.
Data Source Data ID
PubChem 58717049 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.3354334  LogD (pH = 7.4) 1.33544 
Log P 1.3354402  Molar Refractivity 39.0268 cm3
Polarizability 14.253419 Å3 Polar Surface Area 25.78 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
35-37°C expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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