Home > Compound List > Compound details
885271-95-4 molecular structure
click picture or here to close

6-(furan-2-yl)-1H-indazole

ChemBase ID: 812997
Molecular Formular: C11H8N2O
Molecular Mass: 184.19402
Monoisotopic Mass: 184.06366289
SMILES and InChIs

SMILES:
c1n[nH]c2cc(ccc12)c1occc1
Canonical SMILES:
c1coc(c1)c1ccc2c(c1)[nH]nc2
InChI:
InChI=1S/C11H8N2O/c1-2-11(14-5-1)8-3-4-9-7-12-13-10(9)6-8/h1-7H,(H,12,13)
InChIKey:
DYIYVKCOAHSLAN-UHFFFAOYSA-N

Cite this record

CBID:812997 http://www.chembase.cn/molecule-812997.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-(furan-2-yl)-1H-indazole
IUPAC Traditional name
6-(furan-2-yl)-1H-indazole
Synonyms
6-FURAN-2-YL-1H-INDAZOLE
CAS Number
885271-95-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O33810 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O33810 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.714401  H Acceptors
H Donor LogD (pH = 5.5) 2.0037608 
LogD (pH = 7.4) 2.003759  Log P 2.0037796 
Molar Refractivity 53.6002 cm3 Polarizability 22.536982 Å3
Polar Surface Area 41.82 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