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348-25-4 molecular structure
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6-fluoro-1H-indazole

ChemBase ID: 67398
Molecular Formular: C7H5FN2
Molecular Mass: 136.1264032
Monoisotopic Mass: 136.04367639
SMILES and InChIs

SMILES:
[nH]1ncc2ccc(cc12)F
Canonical SMILES:
Fc1ccc2c(c1)[nH]nc2
InChI:
InChI=1S/C7H5FN2/c8-6-2-1-5-4-9-10-7(5)3-6/h1-4H,(H,9,10)
InChIKey:
CFMZDEQEVCDMRN-UHFFFAOYSA-N

Cite this record

CBID:67398 http://www.chembase.cn/molecule-67398.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-fluoro-1H-indazole
IUPAC Traditional name
6-fluoro-1H-indazole
Synonyms
6-Fluoro-1H-indazole
CAS Number
348-25-4
MDL Number
MFCD07371562
PubChem SID
162033133
PubChem CID
17842350

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.007631  H Acceptors
H Donor LogD (pH = 5.5) 1.4389874 
LogD (pH = 7.4) 1.4389989  Log P 1.4390097 
Molar Refractivity 36.2895 cm3 Polarizability 14.284664 Å3
Polar Surface Area 28.68 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
Harmful/Irritant/Store under Argon expand Show data source
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95+% expand Show data source
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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