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MFCD08056321 molecular structure
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5-tert-butyl-1,3-oxazole-4-carbonyl chloride

ChemBase ID: 90978
Molecular Formular: C8H10ClNO2
Molecular Mass: 187.6235
Monoisotopic Mass: 187.04000625
SMILES and InChIs

SMILES:
n1coc(c1C(=O)Cl)C(C)(C)C
Canonical SMILES:
ClC(=O)c1ncoc1C(C)(C)C
InChI:
InChI=1S/C8H10ClNO2/c1-8(2,3)6-5(7(9)11)10-4-12-6/h4H,1-3H3
InChIKey:
VQDSWPBSJUAOAI-UHFFFAOYSA-N

Cite this record

CBID:90978 http://www.chembase.cn/molecule-90978.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-tert-butyl-1,3-oxazole-4-carbonyl chloride
IUPAC Traditional name
5-tert-butyl-1,3-oxazole-4-carbonyl chloride
Synonyms
5-(tert-Butyl)-1,3-oxazole-4-carbonyl chloride 95%
MDL Number
MFCD08056321
PubChem SID
162077682
PubChem CID
26967346

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR6377 external link Add to cart Please log in.
Data Source Data ID
PubChem 26967346 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.9569573  LogD (pH = 7.4) 1.9569575 
Log P 1.9569575  Molar Refractivity 46.0535 cm3
Polarizability 17.453333 Å3 Polar Surface Area 43.1 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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