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885520-14-9 molecular structure
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6-fluoro-4-nitro-1H-indazole

ChemBase ID: 294750
Molecular Formular: C7H4FN3O2
Molecular Mass: 181.1239632
Monoisotopic Mass: 181.0287546
SMILES and InChIs

SMILES:
[O-][N+](=O)c1c2cn[nH]c2cc(F)c1
Canonical SMILES:
Fc1cc2[nH]ncc2c(c1)[N+](=O)[O-]
InChI:
InChI=1S/C7H4FN3O2/c8-4-1-6-5(3-9-10-6)7(2-4)11(12)13/h1-3H,(H,9,10)
InChIKey:
ZLWWUZPPDBZERM-UHFFFAOYSA-N

Cite this record

CBID:294750 http://www.chembase.cn/molecule-294750.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-fluoro-4-nitro-1H-indazole
IUPAC Traditional name
6-fluoro-4-nitro-1H-indazole
Synonyms
6-Fluoro-4-nitro-1H-indazole
CAS Number
885520-14-9
MDL Number
MFCD07781404
PubChem SID
180680281
PubChem CID
24728154

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD236537 Please log in.
Data Source Data ID
PubChem 24728154 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.774048  H Acceptors
H Donor LogD (pH = 5.5) 1.3787673 
LogD (pH = 7.4) 1.3614653  Log P 1.3789939 
Molar Refractivity 42.61 cm3 Polarizability 16.26345 Å3
Polar Surface Area 71.82 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

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PATENTS

PATENTS

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INTERNET

INTERNET

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