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465514-15-2 molecular structure
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5-(4-methoxyphenyl)-1,3-oxazole-4-carbonyl chloride

ChemBase ID: 83172
Molecular Formular: C11H8ClNO3
Molecular Mass: 237.63912
Monoisotopic Mass: 237.0192708
SMILES and InChIs

SMILES:
n1coc(c1C(=O)Cl)c1ccc(cc1)OC
Canonical SMILES:
COc1ccc(cc1)c1ocnc1C(=O)Cl
InChI:
InChI=1S/C11H8ClNO3/c1-15-8-4-2-7(3-5-8)10-9(11(12)14)13-6-16-10/h2-6H,1H3
InChIKey:
PPOMWXKXWCMFNJ-UHFFFAOYSA-N

Cite this record

CBID:83172 http://www.chembase.cn/molecule-83172.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(4-methoxyphenyl)-1,3-oxazole-4-carbonyl chloride
IUPAC Traditional name
5-(4-methoxyphenyl)-1,3-oxazole-4-carbonyl chloride
Synonyms
5-(4-methoxyphenyl)-1,3-oxazole-4-carbonyl chloride
CAS Number
465514-15-2
MDL Number
MFCD03659712
PubChem SID
162070291
PubChem CID
2779785

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 2779785 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.9014553  LogD (pH = 7.4) 1.9014553 
Log P 1.9014553  Molar Refractivity 58.987 cm3
Polarizability 23.564283 Å3 Polar Surface Area 52.33 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

INTERNET

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