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1677-80-1 molecular structure
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3,4-dichloropyridazine

ChemBase ID: 796610
Molecular Formular: C4H2Cl2N2
Molecular Mass: 148.97808
Monoisotopic Mass: 147.95950343
SMILES and InChIs

SMILES:
n1nc(c(cc1)Cl)Cl
Canonical SMILES:
Clc1nnccc1Cl
InChI:
InChI=1S/C4H2Cl2N2/c5-3-1-2-7-8-4(3)6/h1-2H
InChIKey:
JADVVTZXHQUFLS-UHFFFAOYSA-N

Cite this record

CBID:796610 http://www.chembase.cn/molecule-796610.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3,4-dichloropyridazine
IUPAC Traditional name
3,4-dichloropyridazine
Synonyms
3,4-Dichloropyridazine
CAS Number
1677-80-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O3593 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O3593 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) 1.2040623  LogD (pH = 7.4) 1.2040699 
Log P 1.20407  Molar Refractivity 34.4353 cm3
Polarizability 12.539264 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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