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950890-11-6 molecular structure
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4-iodopyridazine

ChemBase ID: 814391
Molecular Formular: C4H3IN2
Molecular Mass: 205.98449
Monoisotopic Mass: 205.93409611
SMILES and InChIs

SMILES:
n1ncc(cc1)I
Canonical SMILES:
Ic1ccnnc1
InChI:
InChI=1S/C4H3IN2/c5-4-1-2-6-7-3-4/h1-3H
InChIKey:
KQZAOLAXMCMTGK-UHFFFAOYSA-N

Cite this record

CBID:814391 http://www.chembase.cn/molecule-814391.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-iodopyridazine
IUPAC Traditional name
4-iodopyridazine
Synonyms
4-iodopyridazine
CAS Number
950890-11-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O36554 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O36554 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) 0.70465326  LogD (pH = 7.4) 0.7047467 
Log P 0.7047479  Molar Refractivity 37.1269 cm3
Polarizability 13.900517 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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