Home > Compound List > Compound details
1352899-19-4 molecular structure
click picture or here to close

3-chloro-7-fluoro-1,2-benzoxazole

ChemBase ID: 289651
Molecular Formular: C7H3ClFNO
Molecular Mass: 171.5562232
Monoisotopic Mass: 170.98871962
SMILES and InChIs

SMILES:
Fc1cccc2c1onc2Cl
Canonical SMILES:
Fc1cccc2c1onc2Cl
InChI:
InChI=1S/C7H3ClFNO/c8-7-4-2-1-3-5(9)6(4)11-10-7/h1-3H
InChIKey:
SFPXHGXIKAOVTL-UHFFFAOYSA-N

Cite this record

CBID:289651 http://www.chembase.cn/molecule-289651.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-chloro-7-fluoro-1,2-benzoxazole
IUPAC Traditional name
3-chloro-7-fluoro-1,2-benzoxazole
Synonyms
3-Chloro-7-fluorobenzo[d]isoxazole
CAS Number
1352899-19-4
PubChem SID
180675182
PubChem CID
70700314

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD224692 Please log in.
Data Source Data ID
PubChem 70700314 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.323593  LogD (pH = 7.4) 2.323593 
Log P 2.323593  Molar Refractivity 39.9102 cm3
Polarizability 15.5219755 Å3 Polar Surface Area 26.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% 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