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6775-78-6 molecular structure
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6-chloroimidazo[1,2-b]pyridazine

ChemBase ID: 51708
Molecular Formular: C6H4ClN3
Molecular Mass: 153.56906
Monoisotopic Mass: 153.00937482
SMILES and InChIs

SMILES:
c12ccc(nn1ccn2)Cl
Canonical SMILES:
Clc1ccc2n(n1)ccn2
InChI:
InChI=1S/C6H4ClN3/c7-5-1-2-6-8-3-4-10(6)9-5/h1-4H
InChIKey:
MPZDNIJHHXRTIQ-UHFFFAOYSA-N

Cite this record

CBID:51708 http://www.chembase.cn/molecule-51708.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-chloroimidazo[1,2-b]pyridazine
IUPAC Traditional name
6-chloroimidazo[1,2-b]pyridazine
Synonyms
6-Chloroimidazo[1,2-b]pyridazine 98%
6-chloroimidazo[1,2-b]pyridazine
6-Chloro-imidazo[1,2-b]pyridazine
CAS Number
6775-78-6
MDL Number
MFCD07778345
PubChem SID
162056471
PubChem CID
138828

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.4727149  LogD (pH = 7.4) 1.4771377 
Log P 1.4771944  Molar Refractivity 49.6397 cm3
Polarizability 14.376621 Å3 Polar Surface Area 30.19 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
114 - 116°C expand Show data source
Hydrophobicity(logP)
1.198 expand Show data source
Storage Warning
Harmful/Irritant/Keep Cold expand Show data source
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source
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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