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50998-18-0 molecular structure
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6-iodoquinoxaline

ChemBase ID: 798226
Molecular Formular: C8H5IN2
Molecular Mass: 256.04317
Monoisotopic Mass: 255.94974617
SMILES and InChIs

SMILES:
c1cc2c(cc1I)nccn2
Canonical SMILES:
Ic1ccc2c(c1)nccn2
InChI:
InChI=1S/C8H5IN2/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-5H
InChIKey:
NWQDPVJVUFEWLG-UHFFFAOYSA-N

Cite this record

CBID:798226 http://www.chembase.cn/molecule-798226.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-iodoquinoxaline
IUPAC Traditional name
6-iodoquinoxaline
Synonyms
Quinoxaline, 6-iodo
CAS Number
50998-18-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O10667 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O10667 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) 2.2280085  LogD (pH = 7.4) 2.2280226 
Log P 2.2280228  Molar Refractivity 50.8129 cm3
Polarizability 21.092794 Å3 Polar Surface Area 25.78 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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