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1060816-14-9 molecular structure
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2-bromo-4-(trifluoromethyl)-1,3-oxazole

ChemBase ID: 813734
Molecular Formular: C4HBrF3NO
Molecular Mass: 215.9560496
Monoisotopic Mass: 214.91936032
SMILES and InChIs

SMILES:
o1c(nc(c1)C(F)(F)F)Br
Canonical SMILES:
FC(c1coc(n1)Br)(F)F
InChI:
InChI=1S/C4HBrF3NO/c5-3-9-2(1-10-3)4(6,7)8/h1H
InChIKey:
GOJLDYZMFAQWAN-UHFFFAOYSA-N

Cite this record

CBID:813734 http://www.chembase.cn/molecule-813734.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-bromo-4-(trifluoromethyl)-1,3-oxazole
IUPAC Traditional name
2-bromo-4-(trifluoromethyl)-1,3-oxazole
Synonyms
2-bromo-4-(trifluoromethyl)oxazole
CAS Number
1060816-14-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O35815 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O35815 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.2429032  LogD (pH = 7.4) 2.2429032 
Log P 2.2429032  Molar Refractivity 29.9939 cm3
Polarizability 11.4355 Å3 Polar Surface Area 26.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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