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MFCD08235243 molecular structure
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imidazo[1,2-b][1,2]oxazole-2-carbonyl chloride

ChemBase ID: 90989
Molecular Formular: C6H3ClN2O2
Molecular Mass: 170.55322
Monoisotopic Mass: 169.98830503
SMILES and InChIs

SMILES:
n12c(nc(c1)C(=O)Cl)cco2
Canonical SMILES:
ClC(=O)c1cn2c(n1)cco2
InChI:
InChI=1S/C6H3ClN2O2/c7-6(10)4-3-9-5(8-4)1-2-11-9/h1-3H
InChIKey:
JSAYQUBKKPDMGS-UHFFFAOYSA-N

Cite this record

CBID:90989 http://www.chembase.cn/molecule-90989.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
imidazo[1,2-b][1,2]oxazole-2-carbonyl chloride
IUPAC Traditional name
imidazo[1,2-b][1,2]oxazole-2-carbonyl chloride
Synonyms
Imidazo[1,2-b]isoxazole-2-carbonyl chloride 95%
MDL Number
MFCD08235243
PubChem SID
162077693
PubChem CID
26967367

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR6390 external link Add to cart Please log in.
Data Source Data ID
PubChem 26967367 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.85757005  LogD (pH = 7.4) 0.8581921 
Log P 0.8582  Molar Refractivity 60.0166 cm3
Polarizability 14.1216755 Å3 Polar Surface Area 47.51 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

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