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14521-81-4 molecular structure
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3-fluoro-1H-pyrazole

ChemBase ID: 71194
Molecular Formular: C3H3FN2
Molecular Mass: 86.0677232
Monoisotopic Mass: 86.02802633
SMILES and InChIs

SMILES:
[nH]1nc(cc1)F
Canonical SMILES:
Fc1cc[nH]n1
InChI:
InChI=1S/C3H3FN2/c4-3-1-2-5-6-3/h1-2H,(H,5,6)
InChIKey:
WNDHCIJGEKNYNF-UHFFFAOYSA-N

Cite this record

CBID:71194 http://www.chembase.cn/molecule-71194.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-fluoro-1H-pyrazole
IUPAC Traditional name
3-fluoro-1H-pyrazole
Synonyms
3-Fluoro-1H-pyrazole
CAS Number
14521-81-4
PubChem SID
162036802
PubChem CID
15055508

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
076788 external link Add to cart Please log in.
Data Source Data ID
PubChem 15055508 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.713297  H Acceptors
H Donor LogD (pH = 5.5) 0.81406176 
LogD (pH = 7.4) 0.8140622  Log P 0.8140624 
Molar Refractivity 20.9765 cm3 Polarizability 6.927576 Å3
Polar Surface Area 28.68 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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