Home > Compound List > Compound details
885274-02-2 molecular structure
click picture or here to close

[2-(2-bromophenyl)-1,3-oxazol-4-yl]methanol

ChemBase ID: 811007
Molecular Formular: C10H8BrNO2
Molecular Mass: 254.08002
Monoisotopic Mass: 252.9738405
SMILES and InChIs

SMILES:
C(O)c1nc(oc1)c1c(cccc1)Br
Canonical SMILES:
OCc1coc(n1)c1ccccc1Br
InChI:
InChI=1S/C10H8BrNO2/c11-9-4-2-1-3-8(9)10-12-7(5-13)6-14-10/h1-4,6,13H,5H2
InChIKey:
HRKGJMOUAJGHTD-UHFFFAOYSA-N

Cite this record

CBID:811007 http://www.chembase.cn/molecule-811007.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[2-(2-bromophenyl)-1,3-oxazol-4-yl]methanol
IUPAC Traditional name
[2-(2-bromophenyl)-1,3-oxazol-4-yl]methanol
Synonyms
[2-(2-BROMO-PHENYL)-OXAZOL-4-YL]-METHANOL
CAS Number
885274-02-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O30003 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O30003 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.718916  H Acceptors
H Donor LogD (pH = 5.5) 2.0227818 
LogD (pH = 7.4) 2.022782  Log P 2.022782 
Molar Refractivity 65.7855 cm3 Polarizability 21.87056 Å3
Polar Surface Area 46.26 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

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle