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885272-95-7 molecular structure
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2-(3-fluorophenyl)-1,3-oxazole-4-carbaldehyde

ChemBase ID: 799290
Molecular Formular: C10H6FNO2
Molecular Mass: 191.1585432
Monoisotopic Mass: 191.03825666
SMILES and InChIs

SMILES:
o1c(nc(c1)C=O)c1cc(ccc1)F
Canonical SMILES:
O=Cc1coc(n1)c1cccc(c1)F
InChI:
InChI=1S/C10H6FNO2/c11-8-3-1-2-7(4-8)10-12-9(5-13)6-14-10/h1-6H
InChIKey:
BDKLKNJTMLIAFE-UHFFFAOYSA-N

Cite this record

CBID:799290 http://www.chembase.cn/molecule-799290.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(3-fluorophenyl)-1,3-oxazole-4-carbaldehyde
IUPAC Traditional name
2-(3-fluorophenyl)-1,3-oxazole-4-carbaldehyde
Synonyms
2-(3-Fluoro-phenyl)-oxazole-4-carbaldehyde
CAS Number
885272-95-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.4696548  LogD (pH = 7.4) 2.4696548 
Log P 2.4696548  Molar Refractivity 58.2842 cm3
Polarizability 18.192015 Å3 Polar Surface Area 43.1 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
96% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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