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1245644-88-5 molecular structure
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4,5-dichloropyridazine hydrochloride

ChemBase ID: 796427
Molecular Formular: C4H3Cl3N2
Molecular Mass: 185.43902
Monoisotopic Mass: 183.93618115
SMILES and InChIs

SMILES:
Cl.n1ncc(c(c1)Cl)Cl
Canonical SMILES:
Clc1cnncc1Cl.Cl
InChI:
InChI=1S/C4H2Cl2N2.ClH/c5-3-1-7-8-2-4(3)6;/h1-2H;1H
InChIKey:
GOJBWUHDZOYHQM-UHFFFAOYSA-N

Cite this record

CBID:796427 http://www.chembase.cn/molecule-796427.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4,5-dichloropyridazine hydrochloride
IUPAC Traditional name
4,5-dichloropyridazine hydrochloride
Synonyms
4,5-Dichloropyridazine hydrochloride
CAS Number
1245644-88-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O2786 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O2786 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) 0.98385423  LogD (pH = 7.4) 0.9838923 
Log P 0.9838928  Molar Refractivity 33.374 cm3
Polarizability 12.484144 Å3 Polar Surface Area 25.78 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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