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63744-25-2 molecular structure
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6-bromo-8-methoxyimidazo[1,2-a]pyrazine

ChemBase ID: 288002
Molecular Formular: C7H6BrN3O
Molecular Mass: 228.04604
Monoisotopic Mass: 226.96942383
SMILES and InChIs

SMILES:
COc1nc(Br)cn2c1ncc2
Canonical SMILES:
COc1nc(Br)cn2c1ncc2
InChI:
InChI=1S/C7H6BrN3O/c1-12-7-6-9-2-3-11(6)4-5(8)10-7/h2-4H,1H3
InChIKey:
NFZLMWYHNQPCDZ-UHFFFAOYSA-N

Cite this record

CBID:288002 http://www.chembase.cn/molecule-288002.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-bromo-8-methoxyimidazo[1,2-a]pyrazine
IUPAC Traditional name
6-bromo-8-methoxyimidazo[1,2-a]pyrazine
Synonyms
6-Bromo-8-methoxyimidazo[1,2-a]pyrazine
CAS Number
63744-25-2
PubChem SID
180673533
PubChem CID
11790955

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD164449 Please log in.
Data Source Data ID
PubChem 11790955 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.9522456  LogD (pH = 7.4) 0.9529292 
Log P 0.9529379  Molar Refractivity 49.0212 cm3
Polarizability 17.959541 Å3 Polar Surface Area 39.42 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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