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MFCD08235242 molecular structure
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imidazo[1,2-b]pyridazine-2-carbonyl chloride

ChemBase ID: 90988
Molecular Formular: C7H4ClN3O
Molecular Mass: 181.57916
Monoisotopic Mass: 181.00428944
SMILES and InChIs

SMILES:
n1c2n(nccc2)cc1C(=O)Cl
Canonical SMILES:
ClC(=O)c1cn2c(n1)cccn2
InChI:
InChI=1S/C7H4ClN3O/c8-7(12)5-4-11-6(10-5)2-1-3-9-11/h1-4H
InChIKey:
NITFKJJXGOGIOZ-UHFFFAOYSA-N

Cite this record

CBID:90988 http://www.chembase.cn/molecule-90988.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
imidazo[1,2-b]pyridazine-2-carbonyl chloride
IUPAC Traditional name
imidazo[1,2-b]pyridazine-2-carbonyl chloride
Synonyms
Imidazo[1,2-b]pyridazine-2-carbonyl chloride 95%
MDL Number
MFCD08235242
PubChem SID
162077692
PubChem CID
26967364

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR6389 external link Add to cart Please log in.
Data Source Data ID
PubChem 26967364 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.22806  LogD (pH = 7.4) 1.2297144 
Log P 1.2297355  Molar Refractivity 54.5163 cm3
Polarizability 16.25358 Å3 Polar Surface Area 47.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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